1-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-5-bromo-2,3-dihydro-1H-indol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-5-bromo-2,3-dihydro-1H-indol-1-yl)ethan-1-one
1-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-5-bromo-2,3-dihydro-1H-indol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C069-0910 |
| Compound Name: | 1-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-5-bromo-2,3-dihydro-1H-indol-1-yl)ethan-1-one |
| Molecular Weight: | 522.42 |
| Molecular Formula: | C22 H24 Br N3 O5 S |
| Smiles: | CC(N1CCc2cc(c(cc12)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6149 |
| logD: | 2.5197 |
| logSw: | -2.9643 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.023 |
| InChI Key: | XKVDSZZVARPBFZ-UHFFFAOYSA-N |