N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8008-8047 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 514.61 |
| Molecular Formula: | C27 H26 N6 O3 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSc1nnc(COC)n1c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.263 |
| logD: | 2.234 |
| logSw: | -2.8228 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.342 |
| InChI Key: | JIFWEYQXZYATHD-UHFFFAOYSA-N |