methyl 5-({4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-4-nitro-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 5-({4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-4-nitro-1H-pyrazole-3-carboxylate
methyl 5-({4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-4-nitro-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y504-8936 |
| Compound Name: | methyl 5-({4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-4-nitro-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 378.37 |
| Molecular Formula: | C13 H14 N8 O4 S |
| Smiles: | Cc1ccn(Cc2nnc(n2C)Sc2c(c(C(=O)OC)n[nH]2)[N+]([O-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.2257 |
| logD: | -0.6941 |
| logSw: | -2.2833 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.11 |
| InChI Key: | GAXVVIRESLNVAG-UHFFFAOYSA-N |