4-(morpholine-4-sulfonyl)-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-(morpholine-4-sulfonyl)-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
4-(morpholine-4-sulfonyl)-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 2515-5680 |
| Compound Name: | 4-(morpholine-4-sulfonyl)-N-{[4-(4-nitrophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 504.54 |
| Molecular Formula: | C20 H20 N6 O6 S2 |
| Smiles: | C(C1=NNC(N1c1ccc(cc1)[N+]([O-])=O)=S)NC(c1ccc(cc1)S(N1CCOCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6483 |
| logD: | 0.7977 |
| logSw: | -2.6655 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 124.515 |
| InChI Key: | IEBVBDQMMMEOFJ-UHFFFAOYSA-N |