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72741-86-7 | (4-hydroxy-8a-methoxy-5-methyl-6,7-dioxo-1,1a,2,6,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate
CAS No: 72741-86-7 Catalog No: AG005FHJ MDL No:
Product Description
Catalog Number:
AG005FHJ
Chemical Name:
(4-hydroxy-8a-methoxy-5-methyl-6,7-dioxo-1,1a,2,6,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl carbamate
CAS Number:
72741-86-7
Molecular Formula:
C15H17N3O6
Molecular Weight:
335.3120
IUPAC Name:
(13-hydroxy-7-methoxy-12-methyl-10,11-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),12-dien-8-yl)methyl carbamate
InChI:
InChI=1S/C15H17N3O6/c1-5-10(19)9-8(12(21)11(5)20)6(4-24-14(16)22)15(23-2)13-7(17-13)3-18(9)15/h6-7,13,17,19H,3-4H2,1-2H3,(H2,16,22)
InChI Key:
WKYZYLKGCNBEMG-UHFFFAOYSA-N
SMILES:
COC12C3NC3CN2C2=C(C1COC(=O)N)C(=O)C(=O)C(=C2O)C
NSC Number:
123105
Properties
Complexity:
756
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.112g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
335.316g/mol
Monoisotopic Mass:
335.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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