5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0883 |
| Compound Name: | 5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C16 H14 Cl N5 O3 S3 |
| Smiles: | CCSc1nnc(NC(c2c(cnc(n2)S(Cc2ccccc2)(=O)=O)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.7963 |
| logD: | 2.1701 |
| logSw: | -4.1178 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.413 |
| InChI Key: | OZKJLFFWJPBBLY-UHFFFAOYSA-N |