1-[bis(2-hydroxyethyl)amino]-3-{3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1H-indol-1-yl}propan-2-ol--but-2-enedioic acid (1/1)
Chemical Structure Depiction of
1-[bis(2-hydroxyethyl)amino]-3-{3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1H-indol-1-yl}propan-2-ol--but-2-enedioic acid (1/1)
1-[bis(2-hydroxyethyl)amino]-3-{3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1H-indol-1-yl}propan-2-ol--but-2-enedioic acid (1/1)
Compound characteristics
| Compound ID: | 4513-1279 |
| Compound Name: | 1-[bis(2-hydroxyethyl)amino]-3-{3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1H-indol-1-yl}propan-2-ol--but-2-enedioic acid (1/1) |
| Molecular Weight: | 660.77 |
| Molecular Formula: | C33 H40 N2 O5 |
| Salt: | HOOCCH=CHCOOH |
| Smiles: | CCC(=C(c1ccc(cc1)OC)c1ccc(cc1)OC)c1cn(CC(CN(CCO)CCO)O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.085 |
| logD: | 4.9552 |
| logSw: | -4.7231 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.657 |
| InChI Key: | NIWJEYOEHMNEJG-SANMLTNESA-N |