3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1-(4-benzylpiperazin-1-yl)propan-1-one
Chemical Structure Depiction of
3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1-(4-benzylpiperazin-1-yl)propan-1-one
3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1-(4-benzylpiperazin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | C137-0112 |
| Compound Name: | 3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1-(4-benzylpiperazin-1-yl)propan-1-one |
| Molecular Weight: | 534.47 |
| Molecular Formula: | C24 H28 Br N3 O4 S |
| Smiles: | CC(N1CCc2cc(c(cc12)S(CCC(N1CCN(CC1)Cc1ccccc1)=O)(=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0942 |
| logD: | 2.0612 |
| logSw: | -2.7144 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.354 |
| InChI Key: | PYQNRSSKOYCDDS-UHFFFAOYSA-N |