2-(2-methylpropyl)-1-oxo-N-[(4-sulfamoylphenyl)methyl]-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(2-methylpropyl)-1-oxo-N-[(4-sulfamoylphenyl)methyl]-1,2-dihydroisoquinoline-4-carboxamide
2-(2-methylpropyl)-1-oxo-N-[(4-sulfamoylphenyl)methyl]-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-1150 |
| Compound Name: | 2-(2-methylpropyl)-1-oxo-N-[(4-sulfamoylphenyl)methyl]-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | CC(C)CN1C=C(C(NCc2ccc(cc2)S(N)(=O)=O)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.4107 |
| logD: | 1.41 |
| logSw: | -2.3948 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.488 |
| InChI Key: | PJBWXACXDJOFKI-UHFFFAOYSA-N |