BRN 0904646

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

CAS: 5091-31-6

Molecular Formula	`C16H20N4O7S`
Molecular Weight	412.4 g/mol
LogP	-0.7
Topological Polar Surface Area	170.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	5
Exact Mass	412.10526
Heavy Atoms	28
Complexity	995.0

Chemical Identifiers

CAS Number	5091-31-6
SMILES	`CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4S(=O)(=O)C)N`
InChIKey	`MYXRRXIOADSTIW-IVPXTRFFSA-N`

📖 Product Overview

BRN 0904646 (CAS: 5091-31-6) is a chemical compound with molecular formula C16H20N4O7S and molecular weight 412.4 g/mol. Its IUPAC systematic name is [(7R,8S)-11-amino-7-methoxy-12-methyl-5-methylsulfonyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate. LogP -0.7 Topological Polar Surface Area 170.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 10 Rotatable Bonds 5 Exact Mass 412.10526 Heavy Atoms 28 Complexity 995.0 InChI Key: MYXRRXIOADSTIW-IVPXTRFFSA-N. SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4S(=O)(=O)C)N.

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