1-{5-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2-methyl-2,3-dihydro-1H-indol-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2-methyl-2,3-dihydro-1H-indol-1-yl}ethan-1-one
1-{5-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2-methyl-2,3-dihydro-1H-indol-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | E570-1435 |
| Compound Name: | 1-{5-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-2-methyl-2,3-dihydro-1H-indol-1-yl}ethan-1-one |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C26 H31 N3 O4 S |
| Smiles: | CC1Cc2cc(ccc2N1C(C)=O)S(N1CCC(CC1)C(N1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0352 |
| logD: | 3.0352 |
| logSw: | -3.5273 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.617 |
| InChI Key: | YNBRBKQLTNODBW-GOSISDBHSA-N |