N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Compound characteristics
Compound ID: | 3330-3021 |
Compound Name: | N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide |
Molecular Weight: | 395.3 |
Molecular Formula: | C14 H11 Br N4 O S2 |
Smiles: | C(C1=NNC(N1c1ccc(cc1)[Br])=S)NC(c1cccs1)=O |
Stereo: | ACHIRAL |
logP: | 3.2836 |
logD: | 2.433 |
logSw: | -3.4534 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 52.532 |
InChI Key: | AKFDWCOYHAWCCH-UHFFFAOYSA-N |