4-butoxy-N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-butoxy-N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
4-butoxy-N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 2515-5479 |
| Compound Name: | 4-butoxy-N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 416.93 |
| Molecular Formula: | C20 H21 Cl N4 O2 S |
| Smiles: | CCCCOc1ccc(cc1)C(NCC1=NNC(N1c1cccc(c1)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6866 |
| logD: | 2.9545 |
| logSw: | -4.7419 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.932 |
| InChI Key: | AKRRIIAHDISWFQ-UHFFFAOYSA-N |