2-(benzylsulfanyl)-5-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-5-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]pyrimidine-4-carboxamide
2-(benzylsulfanyl)-5-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0720 |
| Compound Name: | 2-(benzylsulfanyl)-5-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]pyrimidine-4-carboxamide |
| Molecular Weight: | 491.01 |
| Molecular Formula: | C20 H15 Cl N4 O3 S3 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccccc1)[Cl])=O)c1nc2ccc(cc2s1)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0988 |
| logD: | 4.0202 |
| logSw: | -4.3228 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.154 |
| InChI Key: | SNZCASFBHVNZBK-UHFFFAOYSA-N |