2-{3-[1-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{3-[1-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{3-[1-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | C614-1084 |
| Compound Name: | 2-{3-[1-(1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-2-methyl-1H-indol-1-yl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 625.58 |
| Molecular Formula: | C30 H33 Br N4 O4 S |
| Smiles: | CC(N1CCc2cc(c(cc12)S(N1CCC(=CC1)c1c2ccccc2n(CC(N2CCCC2)=O)c1C)(=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3637 |
| logD: | 4.3637 |
| logSw: | -4.4133 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.055 |
| InChI Key: | KKHHUUCXYCPWNS-UHFFFAOYSA-N |