N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide
N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 3330-2790 |
| Compound Name: | N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 399.43 |
| Molecular Formula: | C18 H17 N5 O4 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(NCC1=NNC(N1c1ccccc1OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0128 |
| logD: | 2.7699 |
| logSw: | -3.7574 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.924 |
| InChI Key: | ASCGPODLECIESC-UHFFFAOYSA-N |