5-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0477 |
| Compound Name: | 5-chloro-N-[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 424.97 |
| Molecular Formula: | C18 H21 Cl N4 O2 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCCC)[Cl])=O)c1c(C(NC)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9982 |
| logD: | 0.6843 |
| logSw: | -4.5563 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.465 |
| InChI Key: | MLCYESFSHNNIRO-UHFFFAOYSA-N |