N~3~-(4-methylbenzene-1-sulfonyl)-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(4-methylbenzene-1-sulfonyl)-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]-beta-alaninamide
N~3~-(4-methylbenzene-1-sulfonyl)-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | 8016-3839 |
| Compound Name: | N~3~-(4-methylbenzene-1-sulfonyl)-N-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]-beta-alaninamide |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C19 H20 N4 O4 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(NCC1c2ccccc2C(NN=1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6522 |
| logD: | 1.6522 |
| logSw: | -2.8796 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.604 |
| InChI Key: | UABVFJZMRXFLLB-UHFFFAOYSA-N |