N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[(4-methoxyphenyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[(4-methoxyphenyl)methyl]-beta-alaninamide
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[(4-methoxyphenyl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C450-0815 |
| Compound Name: | N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[(4-methoxyphenyl)methyl]-beta-alaninamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C21 H25 N3 O5 S |
| Smiles: | CC(N1CCc2cc(ccc12)S(NCCC(NCc1ccc(cc1)OC)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5578 |
| logD: | 1.5577 |
| logSw: | -2.6118 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.272 |
| InChI Key: | HTJCBKYSUICVMG-UHFFFAOYSA-N |