N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide
Chemical Structure Depiction of
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 3330-3001 |
| Compound Name: | N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide |
| Molecular Weight: | 538.44 |
| Molecular Formula: | C20 H20 Br N5 O4 S2 |
| Smiles: | C(C1=NNC(N1c1ccc(cc1)[Br])=S)NC(c1ccc(cc1)S(N1CCOCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5565 |
| logD: | 1.7059 |
| logSw: | -2.9295 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.134 |
| InChI Key: | ABDVEOPHZQNOSW-UHFFFAOYSA-N |