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20956-77-8 | Acetamide, N-[9-[[(aminocarbonyl)oxy]methyl]-2,3,5,8-tetrahydro-1-hydroxy-6-methyl-5,8-dioxo-7-(phenylamino)-1H-pyrrolo[1,2-a]indol-2-yl]-
CAS No: 20956-77-8 Catalog No: AG002KAZ MDL No:
Product Description
Catalog Number:
AG002KAZ
Chemical Name:
Acetamide, N-[9-[[(aminocarbonyl)oxy]methyl]-2,3,5,8-tetrahydro-1-hydroxy-6-methyl-5,8-dioxo-7-(phenylamino)-1H-pyrrolo[1,2-a]indol-2-yl]-
CAS Number:
20956-77-8
Molecular Formula:
C22H22N4O6
Molecular Weight:
438.4333
IUPAC Name:
(2-acetamido-6-anilino-3-hydroxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl carbamate
InChI:
InChI=1S/C22H22N4O6/c1-10-16(25-12-6-4-3-5-7-12)21(30)15-13(9-32-22(23)31)17-20(29)14(24-11(2)27)8-26(17)18(15)19(10)28/h3-7,14,20,25,29H,8-9H2,1-2H3,(H2,23,31)(H,24,27)
InChI Key:
BPLYSIXRBSYYEI-UHFFFAOYSA-N
SMILES:
CC(=O)NC1Cn2c(C1O)c(c1c2C(=O)C(=C(C1=O)Nc1ccccc1)C)COC(=O)N
NSC Number:
134720
Properties
Complexity:
851
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.154g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
438.44g/mol
Monoisotopic Mass:
438.154g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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