N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxamide
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0234 |
| Compound Name: | N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 414.89 |
| Molecular Formula: | C15 H15 Cl N4 O4 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O)c1c(C(N)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 0.6434 |
| logD: | -3.2391 |
| logSw: | -2.7731 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.265 |
| InChI Key: | LGWVAMJKZKEJRA-UHFFFAOYSA-N |