5-({[(4-nitrophenyl)methyl]sulfanyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-({[(4-nitrophenyl)methyl]sulfanyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-({[(4-nitrophenyl)methyl]sulfanyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8016-9861 |
| Compound Name: | 5-({[(4-nitrophenyl)methyl]sulfanyl}methyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 266.28 |
| Molecular Formula: | C10 H10 N4 O3 S |
| Smiles: | C(C1NC(NN=1)=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7612 |
| logD: | 1.0461 |
| logSw: | -2.4836 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.808 |
| InChI Key: | UBTURTVEQACBKX-UHFFFAOYSA-N |