N-{[4-(4-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-{[4-(4-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
N-{[4-(4-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 3330-2992 |
| Compound Name: | N-{[4-(4-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C20 H20 F N5 O3 S2 |
| Smiles: | C1CCN(C1)S(c1ccc(cc1)C(NCC1=NNC(N1c1ccc(cc1)F)=S)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4107 |
| logD: | 1.56 |
| logSw: | -2.8444 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.591 |
| InChI Key: | CLAUMLVXTNFIJW-UHFFFAOYSA-N |