N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0172 |
| Compound Name: | N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 473.01 |
| Molecular Formula: | C22 H21 Cl N4 O2 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1c(C(NCc2ccccc2)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8994 |
| logD: | 1.8428 |
| logSw: | -5.093 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.043 |
| InChI Key: | WXHQOFUVNDONAC-UHFFFAOYSA-N |