5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0609 |
| Compound Name: | 5-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 452.98 |
| Molecular Formula: | C22 H17 Cl N4 O S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1ccc(cc1)c1nc2ccc(C)cc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.4098 |
| logD: | 6.4094 |
| logSw: | -6.2369 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.364 |
| InChI Key: | CVUBFLBDMYFIHG-UHFFFAOYSA-N |