N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 3330-2993 |
| Compound Name: | N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C21 H23 N5 O3 S2 |
| Smiles: | Cc1cccc(c1)N1C(CNC(c2ccc(cc2)S(N2CCCC2)(=O)=O)=O)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 2.88 |
| logD: | 2.5454 |
| logSw: | -3.4481 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.591 |
| InChI Key: | DXVJBTFPHIBBFD-UHFFFAOYSA-N |