5-chloro-2-(ethanesulfonyl)-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(ethanesulfonyl)-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyrimidine-4-carboxamide
5-chloro-2-(ethanesulfonyl)-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0344 |
| Compound Name: | 5-chloro-2-(ethanesulfonyl)-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}pyrimidine-4-carboxamide |
| Molecular Weight: | 486.99 |
| Molecular Formula: | C19 H23 Cl N4 O5 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CC)(=O)=O)[Cl])=O)c1c(C(NCCOC)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.3735 |
| logD: | -2.047 |
| logSw: | -3.4192 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.363 |
| InChI Key: | BFGYEECMFCVXDA-UHFFFAOYSA-N |