N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8019-3440 |
| Compound Name: | N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 429.5 |
| Molecular Formula: | C23 H19 N5 O2 S |
| Smiles: | Cc1c(C#N)c(NC(CSC2NC(c3ccccc3N=2)=O)=O)[nH]c1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6179 |
| logD: | 2.4911 |
| logSw: | -3.529 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.975 |
| InChI Key: | CRVJTDQXBBYHME-UHFFFAOYSA-N |