5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(methanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(methanesulfonyl)pyrimidine-4-carboxamide
5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(methanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0250 |
| Compound Name: | 5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(methanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 442.94 |
| Molecular Formula: | C17 H19 Cl N4 O4 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O)c1c(C(NCC)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 1.8693 |
| logD: | -2.5511 |
| logSw: | -3.0569 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.517 |
| InChI Key: | MTDDQLPDEQJOGB-UHFFFAOYSA-N |