3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}propan-1-one
Chemical Structure Depiction of
3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}propan-1-one
3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | C137-0142 |
| Compound Name: | 3-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}propan-1-one |
| Molecular Weight: | 578.48 |
| Molecular Formula: | C25 H28 Br N3 O6 S |
| Smiles: | CC(N1CCc2cc(c(cc12)S(CCC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)(=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9653 |
| logD: | 1.6211 |
| logSw: | -2.6658 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.47 |
| InChI Key: | YODOEGIBYAXGQJ-UHFFFAOYSA-N |