5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0561 |
| Compound Name: | 5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide |
| Molecular Weight: | 444.94 |
| Molecular Formula: | C20 H14 Cl F N4 O S2 |
| Smiles: | Cc1ccc2c(c1)sc(NC(c1c(cnc(n1)SCc1ccc(cc1)F)[Cl])=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.8311 |
| logD: | 5.8131 |
| logSw: | -5.9424 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.405 |
| InChI Key: | NSYXHCVCOYMDFV-UHFFFAOYSA-N |