N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0879 |
| Compound Name: | N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 484.02 |
| Molecular Formula: | C18 H18 Cl N5 O3 S3 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(Cc1ccccc1)(=O)=O)[Cl])=O)c1nnc(SCCCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7996 |
| logD: | 3.1735 |
| logSw: | -4.8315 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.413 |
| InChI Key: | DECMKMQNPGQVGM-UHFFFAOYSA-N |