4-methyl-3-{[2-nitro-5-(pyrrolidin-1-yl)phenyl]sulfanyl}-4H-1,2,4-triazole
Chemical Structure Depiction of
4-methyl-3-{[2-nitro-5-(pyrrolidin-1-yl)phenyl]sulfanyl}-4H-1,2,4-triazole
4-methyl-3-{[2-nitro-5-(pyrrolidin-1-yl)phenyl]sulfanyl}-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8010-7605 |
| Compound Name: | 4-methyl-3-{[2-nitro-5-(pyrrolidin-1-yl)phenyl]sulfanyl}-4H-1,2,4-triazole |
| Molecular Weight: | 305.36 |
| Molecular Formula: | C13 H15 N5 O2 S |
| Smiles: | Cn1cnnc1Sc1cc(ccc1[N+]([O-])=O)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.3376 |
| logD: | 2.3376 |
| logSw: | -2.7663 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.631 |
| InChI Key: | CQGOZCLQOKBTKQ-UHFFFAOYSA-N |