5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide
5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0553 |
| Compound Name: | 5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide |
| Molecular Weight: | 427.93 |
| Molecular Formula: | C15 H11 Cl F N5 O S3 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(cc1)F)[Cl])=O)c1nnc(SC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.6322 |
| logD: | 4.006 |
| logSw: | -4.6345 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.549 |
| InChI Key: | FXCLPHOURDXXFS-UHFFFAOYSA-N |