N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide
Chemical Structure Depiction of
N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide
N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 3330-3003 |
| Compound Name: | N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(morpholine-4-sulfonyl)benzamide |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C21 H23 N5 O4 S2 |
| Smiles: | Cc1cccc(c1)N1C(CNC(c2ccc(cc2)S(N2CCOCC2)(=O)=O)=O)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 2.2211 |
| logD: | 1.8864 |
| logSw: | -2.7611 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.134 |
| InChI Key: | PEOFEVWSKWKMHK-UHFFFAOYSA-N |