methyl 1-{[(4-{[(quinolin-4-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-{[(4-{[(quinolin-4-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
methyl 1-{[(4-{[(quinolin-4-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y503-4171 |
| Compound Name: | methyl 1-{[(4-{[(quinolin-4-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C18 H15 N7 O2 S |
| Smiles: | COC(c1ccn(CSc2nncn2/N=C/c2ccnc3ccccc23)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6407 |
| logD: | 1.6379 |
| logSw: | -2.2658 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.368 |
| InChI Key: | PUXKXYACLZXGSV-UHFFFAOYSA-N |