1-(3,5-dimethoxyanilino)-3-{2-methyl-3-[1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}propan-2-ol--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(3,5-dimethoxyanilino)-3-{2-methyl-3-[1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}propan-2-ol--hydrogen chloride (1/1)
1-(3,5-dimethoxyanilino)-3-{2-methyl-3-[1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}propan-2-ol--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | C614-1032 |
| Compound Name: | 1-(3,5-dimethoxyanilino)-3-{2-methyl-3-[1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}propan-2-ol--hydrogen chloride (1/1) |
| Molecular Weight: | 612.19 |
| Molecular Formula: | C32 H37 N3 O5 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)S(N1CCC(=CC1)c1c2ccccc2n(CC(CNc2cc(cc(c2)OC)OC)O)c1C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8968 |
| logD: | 5.8968 |
| logSw: | -5.5964 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.092 |
| InChI Key: | PUKURPIXBQGSEK-SANMLTNESA-N |