1-[6-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidine-1-sulfonyl)-5-bromo-2,3-dihydro-1H-indol-1-yl]propan-1-one
Chemical Structure Depiction of
1-[6-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidine-1-sulfonyl)-5-bromo-2,3-dihydro-1H-indol-1-yl]propan-1-one
1-[6-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidine-1-sulfonyl)-5-bromo-2,3-dihydro-1H-indol-1-yl]propan-1-one
Compound characteristics
| Compound ID: | C259-1300 |
| Compound Name: | 1-[6-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}piperidine-1-sulfonyl)-5-bromo-2,3-dihydro-1H-indol-1-yl]propan-1-one |
| Molecular Weight: | 647.59 |
| Molecular Formula: | C29 H35 Br N4 O6 S |
| Smiles: | CCC(N1CCc2cc(c(cc12)S(N1CCCC(C1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)(=O)=O)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0858 |
| logD: | 2.6175 |
| logSw: | -3.506 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.61 |
| InChI Key: | NGRKRLVCOBSCBX-QFIPXVFZSA-N |