2,3,4,5,6-pentachloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Chemical Structure Depiction of
2,3,4,5,6-pentachloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
2,3,4,5,6-pentachloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
Compound characteristics
| Compound ID: | 0831-1316 |
| Compound Name: | 2,3,4,5,6-pentachloro-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C12 H8 Cl5 N3 O S |
| Smiles: | CC(C)c1nnc(NC(c2c(c(c(c(c2[Cl])[Cl])[Cl])[Cl])[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.9265 |
| logD: | 0.6799 |
| logSw: | -7.5061 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.875 |
| InChI Key: | TWOKSQSATIOCQQ-UHFFFAOYSA-N |