1-(4-ethoxyanilino)-3-{2-methyl-3-[1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}propan-2-ol--oxalic acid (1/1)
Chemical Structure Depiction of
1-(4-ethoxyanilino)-3-{2-methyl-3-[1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}propan-2-ol--oxalic acid (1/1)
1-(4-ethoxyanilino)-3-{2-methyl-3-[1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}propan-2-ol--oxalic acid (1/1)
Compound characteristics
| Compound ID: | C614-1022 |
| Compound Name: | 1-(4-ethoxyanilino)-3-{2-methyl-3-[1-(4-methylbenzene-1-sulfonyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-indol-1-yl}propan-2-ol--oxalic acid (1/1) |
| Molecular Weight: | 649.76 |
| Molecular Formula: | C32 H37 N3 O4 S |
| Salt: | HOOCCOOH |
| Smiles: | CCOc1ccc(cc1)NCC(Cn1c(C)c(C2CCN(CC=2)S(c2ccc(C)cc2)(=O)=O)c2ccccc12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2425 |
| logD: | 6.2424 |
| logSw: | -5.6087 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.128 |
| InChI Key: | ROVKVDKNMARJCV-MHZLTWQESA-N |