5-chloro-2-(ethylsulfanyl)-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(ethylsulfanyl)-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrimidine-4-carboxamide
5-chloro-2-(ethylsulfanyl)-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0330 |
| Compound Name: | 5-chloro-2-(ethylsulfanyl)-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrimidine-4-carboxamide |
| Molecular Weight: | 373.9 |
| Molecular Formula: | C12 H12 Cl N5 O S3 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1nnc(SCC=C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4255 |
| logD: | 3.9808 |
| logSw: | -4.3767 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.821 |
| InChI Key: | YHXDDMUMJBSSBV-UHFFFAOYSA-N |