N-(3-cyano-4-methyl-5-phenyl-1H-pyrrol-2-yl)-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-cyano-4-methyl-5-phenyl-1H-pyrrol-2-yl)-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
N-(3-cyano-4-methyl-5-phenyl-1H-pyrrol-2-yl)-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | 8019-0090 |
Compound Name: | N-(3-cyano-4-methyl-5-phenyl-1H-pyrrol-2-yl)-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide |
Molecular Weight: | 395.44 |
Molecular Formula: | C19 H17 N5 O3 S |
Smiles: | Cc1c(C#N)c(NC(CSC2NC(C=C(N=2)OC)=O)=O)[nH]c1c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 1.6418 |
logD: | 0.6384 |
logSw: | -2.2902 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 93.053 |
InChI Key: | YSZGKPPTJLCHJP-UHFFFAOYSA-N |