N-[(2-chlorophenyl)methyl]-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
N-[(2-chlorophenyl)methyl]-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C464-1298 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C21 H24 Cl N3 O4 S |
| Smiles: | CCC(N1CCc2cc(ccc12)S(NCCC(NCc1ccccc1[Cl])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9912 |
| logD: | 2.9911 |
| logSw: | -3.4423 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.733 |
| InChI Key: | YRJZENWRWTZMSF-UHFFFAOYSA-N |