N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}naphthalene-1-carboxamide
Chemical Structure Depiction of
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}naphthalene-1-carboxamide
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}naphthalene-1-carboxamide
Compound characteristics
| Compound ID: | 3330-2851 |
| Compound Name: | N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}naphthalene-1-carboxamide |
| Molecular Weight: | 439.33 |
| Molecular Formula: | C20 H15 Br N4 O S |
| Smiles: | C(C1=NNC(N1c1ccc(cc1)[Br])=S)NC(c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6983 |
| logD: | 3.8477 |
| logSw: | -5.451 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.243 |
| InChI Key: | NFSSVZYWXWBVCW-UHFFFAOYSA-N |