N-{[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-{[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8015-1104 |
| Compound Name: | N-{[2-methyl-5-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]methyl}-2-[(4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C21 H20 N6 O2 S |
| Smiles: | Cc1ccc(cc1CNC(CSc1nnc[nH]1)=O)C1c2ccccc2C(N(C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9454 |
| logD: | 1.5909 |
| logSw: | -2.7072 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.771 |
| InChI Key: | KNPWZKDMWFOXBU-UHFFFAOYSA-N |