5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0463 |
| Compound Name: | 5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(propane-1-sulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 407.92 |
| Molecular Formula: | C12 H14 Cl N5 O3 S3 |
| Smiles: | CCCS(c1ncc(c(C(Nc2nnc(SCC)s2)=O)n1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.218 |
| logD: | 1.5918 |
| logSw: | -3.5018 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.685 |
| InChI Key: | NXODDZBUFVQUHB-UHFFFAOYSA-N |