N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-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-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8018-9605 |
| Compound Name: | N-{3-cyano-4-methyl-5-[2-(methylsulfanyl)ethyl]-1H-pyrrol-2-yl}-2-[(4-methoxy-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C16 H19 N5 O3 S2 |
| Smiles: | Cc1c(C#N)c(NC(CSC2NC(C=C(N=2)OC)=O)=O)[nH]c1CCSC |
| Stereo: | ACHIRAL |
| logP: | 0.7785 |
| logD: | -0.2249 |
| logSw: | -1.9052 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.82 |
| InChI Key: | QDNUNTYVUWTOJZ-UHFFFAOYSA-N |