N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxamide
N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0294 |
| Compound Name: | N-[5-(butylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(methanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 407.92 |
| Molecular Formula: | C12 H14 Cl N5 O3 S3 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O)c1nnc(SCCCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.116 |
| logD: | 1.4899 |
| logSw: | -3.4889 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.397 |
| InChI Key: | LNSZFIREKPMABP-UHFFFAOYSA-N |