N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8018-9877 |
| Compound Name: | N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 409.47 |
| Molecular Formula: | C20 H19 N5 O3 S |
| Smiles: | Cc1c(C#N)c(NC(CSC2NC(C=C(N=2)OC)=O)=O)[nH]c1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6284 |
| logD: | 0.625 |
| logSw: | -2.2071 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.549 |
| InChI Key: | DGPOADGJMFLMFT-UHFFFAOYSA-N |