N-[(1H-indazol-3-yl)methyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(1H-indazol-3-yl)methyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
N-[(1H-indazol-3-yl)methyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | P184-0059 |
| Compound Name: | N-[(1H-indazol-3-yl)methyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C18 H20 N4 O3 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(NCc1c2ccccc2[nH]n1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5696 |
| logD: | 2.5695 |
| logSw: | -3.0268 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.052 |
| InChI Key: | XSTQHCQTFMVLGK-UHFFFAOYSA-N |