N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0866 |
| Compound Name: | N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 490.99 |
| Molecular Formula: | C21 H19 Cl N4 O4 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(Cc1ccccc1)(=O)=O)[Cl])=O)c1c(C(N)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.3271 |
| logD: | -1.5555 |
| logSw: | -3.3846 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.281 |
| InChI Key: | CMEXPMDYIGUNSR-UHFFFAOYSA-N |