3-{[4-(ethanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[4-(ethanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazole
3-{[4-(ethanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8016-2639 |
| Compound Name: | 3-{[4-(ethanesulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazole |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C18 H18 N4 O5 S2 |
| Smiles: | CCS(c1ccc(c(c1)[N+]([O-])=O)Sc1nnc(COc2ccccc2)n1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9041 |
| logD: | 2.9041 |
| logSw: | -3.5854 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.643 |
| InChI Key: | UJDMOKHEDRUVNO-UHFFFAOYSA-N |