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140715-86-2

140715-86-2 | (1'R,2S,3'S,5'S,9aS)-1,4',5',9a-tetrahydro-1',2-dimethyl-spiro[9H-imidazo[1,2-a]indole-9,3'-[1,5](iminomethano)[3H][1,4]oxazepino[3,4-b]quinazoline]-3,7',13'(1'H,2H)-trione

CAS No: 140715-86-2 Catalog No: AG01EPYR MDL No:

Product Description

Catalog Number:
AG01EPYR
Chemical Name:
(1'R,2S,3'S,5'S,9aS)-1,4',5',9a-tetrahydro-1',2-dimethyl-spiro[9H-imidazo[1,2-a]indole-9,3'-[1,5](iminomethano)[3H][1,4]oxazepino[3,4-b]quinazoline]-3,7',13'(1'H,2H)-trione
CAS Number:
140715-86-2
Molecular Formula:
C24H21N5O4
Molecular Weight:
443.4546
IUPAC Name:
(1R,2'S,3'aS,12R,14R)-2',12-dimethylspiro[13-oxa-2,10,17-triazatetracyclo[10.3.2.02,11.04,9]heptadeca-4,6,8,10-tetraene-14,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,16-trione
InChI:
InChI=1S/C24H21N5O4/c1-12-19(31)28-16-10-6-4-8-14(16)24(22(28)25-12)11-17-18(30)27-23(2,33-24)21-26-15-9-5-3-7-13(15)20(32)29(17)21/h3-10,12,17,22,25H,11H2,1-2H3,(H,27,30)/t12-,17+,22-,23+,24+/m0/s1
InChI Key:
POEYRUBMWIOMTB-YUGBTJNTSA-N
SMILES:
O=C1[C@H](C)N[C@H]2N1c1ccccc1[C@@]12C[C@@H]2C(=O)N[C@@](O1)(C)c1n2c(=O)c2c(n1)cccc2

Properties

Complexity:
984  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
443.159g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
443.463g/mol
Monoisotopic Mass:
443.159g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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