4-tert-butyl-N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-tert-butyl-N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
4-tert-butyl-N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 2515-5480 |
| Compound Name: | 4-tert-butyl-N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 400.93 |
| Molecular Formula: | C20 H21 Cl N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(NCC1=NNC(N1c1cccc(c1)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0488 |
| logD: | 3.3166 |
| logSw: | -5.1745 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.514 |
| InChI Key: | JMULZOFPQWUKKH-UHFFFAOYSA-N |