N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxamide
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0351 |
| Compound Name: | N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C16 H14 Cl N5 O3 S3 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CC)(=O)=O)[Cl])=O)c1nnc(SCc2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5118 |
| logD: | 2.1349 |
| logSw: | -3.7424 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.413 |
| InChI Key: | GUYYGFBATUFWFV-UHFFFAOYSA-N |