2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid
Chemical Structure Depiction of
2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid
2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid
Compound characteristics
| Compound ID: | C708-0530 |
| Compound Name: | 2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)piperidine-1-sulfonyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylic acid |
| Molecular Weight: | 547.67 |
| Molecular Formula: | C30 H33 N3 O5 S |
| Smiles: | C1CCc2c(C(O)=O)c3cc(ccc3nc2CC1)S(N1CCC(CC1)C(N1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9268 |
| logD: | 1.8981 |
| logSw: | -4.6182 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.751 |
| InChI Key: | SOSJDJMGOFSHKL-UHFFFAOYSA-N |