5-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0568 |
| Compound Name: | 5-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 487.04 |
| Molecular Formula: | C23 H23 Cl N4 O2 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(C)cc1)[Cl])=O)c1c(C(NC)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8945 |
| logD: | 1.5806 |
| logSw: | -5.073 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.194 |
| InChI Key: | PYWSIFCZSOGTPA-UHFFFAOYSA-N |