5-chloro-2-(ethanesulfonyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(ethanesulfonyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide
5-chloro-2-(ethanesulfonyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0345 |
| Compound Name: | 5-chloro-2-(ethanesulfonyl)-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyrimidine-4-carboxamide |
| Molecular Weight: | 456.97 |
| Molecular Formula: | C18 H21 Cl N4 O4 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CC)(=O)=O)[Cl])=O)c1c(C(NCC)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.5199 |
| logD: | -1.9005 |
| logSw: | -3.4728 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.805 |
| InChI Key: | XDRPXAXHYHMIBJ-UHFFFAOYSA-N |