BRN 0871109

[(7R,8S)-11-amino-5-(2-chlorobenzoyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

CAS: 16962-75-7

Molecular Formula	`C22H21ClN4O6`
Molecular Weight	472.9 g/mol
LogP	1.8
Topological Polar Surface Area	145.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	472.11496
Heavy Atoms	33
Complexity	1040.0

Chemical Identifiers

CAS Number	16962-75-7
SMILES	`CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4C(=O)C5=CC=CC=C5Cl)N`
InChIKey	`XOBLCMXEAXWSMX-FYURFMKBSA-N`

📖 Product Overview

BRN 0871109 (CAS: 16962-75-7) is a chemical compound with molecular formula C22H21ClN4O6 and molecular weight 472.9 g/mol. Its IUPAC systematic name is [(7R,8S)-11-amino-5-(2-chlorobenzoyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate. LogP 1.8 Topological Polar Surface Area 145.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 5 Exact Mass 472.11496 Heavy Atoms 33 Complexity 1040.0 InChI Key: XOBLCMXEAXWSMX-FYURFMKBSA-N. SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4C(=O)C5=CC=CC=C5Cl)N.

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