5-chloro-2-(methanesulfonyl)-N-(5-{[(2-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(methanesulfonyl)-N-(5-{[(2-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
5-chloro-2-(methanesulfonyl)-N-(5-{[(2-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0311 |
| Compound Name: | 5-chloro-2-(methanesulfonyl)-N-(5-{[(2-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C16 H14 Cl N5 O3 S3 |
| Smiles: | Cc1ccccc1CSc1nnc(NC(c2c(cnc(n2)S(C)(=O)=O)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9388 |
| logD: | 2.562 |
| logSw: | -4.1478 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.126 |
| InChI Key: | PSBHIKGJXBBBPB-UHFFFAOYSA-N |