N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzene-1-sulfonamide
N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8016-9885 |
| Compound Name: | N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)benzene-1-sulfonamide |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C21 H23 N5 O3 S |
| Smiles: | Cc1ccc(cc1S(NC(C)(C)CO)(=O)=O)c1c2ccccc2c2nnc(C)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.087 |
| logD: | 2.086 |
| logSw: | -2.7774 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.869 |
| InChI Key: | UMLMAGFSDRQOKQ-UHFFFAOYSA-N |