2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)-N-{[4-(propan-2-yl)phenyl]methyl}benzene-1-sulfonamide
Chemical Structure Depiction of
2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)-N-{[4-(propan-2-yl)phenyl]methyl}benzene-1-sulfonamide
2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)-N-{[4-(propan-2-yl)phenyl]methyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | D315-1996 |
| Compound Name: | 2-methyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)-N-{[4-(propan-2-yl)phenyl]methyl}benzene-1-sulfonamide |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | CC(C)c1ccc(CNS(c2cc(ccc2C)C2C3CCCCC=3C(NN=2)=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0054 |
| logD: | 6.0026 |
| logSw: | -5.3796 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.308 |
| InChI Key: | HKXOGKPZDALXIQ-UHFFFAOYSA-N |