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Home > Indoles and Oxindole > 731810-58-5
731810-58-5 | tert-Butyl (6-oxo-5,6-dihydro-1H-[1,2]diazepino[4,5,6-cd]indol-8-yl);carbamate
CAS No: 731810-58-5 Catalog No: AG005Q9X MDL No:
Product Description
Catalog Number:
AG005Q9X
Chemical Name:
tert-Butyl (6-oxo-5,6-dihydro-1H-[1,2]diazepino[4,5,6-cd]indol-8-yl);carbamate
CAS Number:
731810-58-5
Molecular Formula:
C15H16N4O3
Molecular Weight:
300.3125
IUPAC Name:
tert-butyl N-(9-oxo-3,10,11-triazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-6-yl)carbamate
InChI:
InChI=1S/C15H16N4O3/c1-15(2,3)22-14(21)18-9-4-10-12-8(6-16-11(12)5-9)7-17-19-13(10)20/h4-7,16H,1-3H3,(H,18,21)(H,19,20)
InChI Key:
MTQZYRRVIHTEPU-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cc2[nH]cc3c2c(c1)c(=O)[nH]nc3
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.318g/mol
Monoisotopic Mass:
300.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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