Compound C16H17N5O6S2

2-(hydroxyiminomethyl)-N-[2-hydroxy-1-[4-(3-methoxy-5-oxo-2H-pyrrole-1-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]ethyl]-1,3-thiazole-4-carboxamide

CAS: 12656-40-5

Molecular Formula	`C16H17N5O6S2`
Molecular Weight	439.5 g/mol
LogP	-0.6
Topological Polar Surface Area	207.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	11
Rotatable Bonds	7
Exact Mass	439.062
Heavy Atoms	29
Complexity	773.0

Chemical Identifiers

CAS Number	12656-40-5
SMILES	`COC1=CC(=O)N(C1)C(=O)C2CSC(=N2)C(CO)NC(=O)C3=CSC(=N3)C=NO`
InChIKey	`VQQNQKXWJMRPHT-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H17N5O6S2 (CAS: 12656-40-5) is a chemical compound with molecular formula C16H17N5O6S2 and molecular weight 439.5 g/mol. Its IUPAC systematic name is 2-(hydroxyiminomethyl)-N-[2-hydroxy-1-[4-(3-methoxy-5-oxo-2H-pyrrole-1-carbonyl)-4,5-dihydro-1,3-thiazol-2-yl]ethyl]-1,3-thiazole-4-carboxamide. LogP -0.6 Topological Polar Surface Area 207.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 11 Rotatable Bonds 7 Exact Mass 439.062 Heavy Atoms 29 Complexity 773.0 InChI Key: VQQNQKXWJMRPHT-UHFFFAOYSA-N. SMILES: COC1=CC(=O)N(C1)C(=O)C2CSC(=N2)C(CO)NC(=O)C3=CSC(=N3)C=NO.

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