5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0683 |
| Compound Name: | 5-chloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 373.9 |
| Molecular Formula: | C12 H12 Cl N5 O S3 |
| Smiles: | CCSc1nnc(NC(c2c(cnc(n2)SCC=C)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4396 |
| logD: | 3.8134 |
| logSw: | -4.3731 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.821 |
| InChI Key: | SDNCBLJUKFIGOY-UHFFFAOYSA-N |