3-chloro-N-{5-[(2-methylprop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
3-chloro-N-{5-[(2-methylprop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
3-chloro-N-{5-[(2-methylprop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | V010-6187 |
| Compound Name: | 3-chloro-N-{5-[(2-methylprop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 325.84 |
| Molecular Formula: | C13 H12 Cl N3 O S2 |
| Salt: | not_available |
| Smiles: | CC(=C)CSc1nnc(NC(c2cccc(c2)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8283 |
| logD: | 4.557 |
| logSw: | -4.8146 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.236 |
| InChI Key: | KKYREDMRQWRBTG-UHFFFAOYSA-N |