3-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-1-(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)butan-1-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-1-(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)butan-1-one
3-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-1-(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)butan-1-one
Compound characteristics
| Compound ID: | Y042-1355 |
| Compound Name: | 3-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-1-(1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)butan-1-one |
| Molecular Weight: | 417.94 |
| Molecular Formula: | C25 H24 Cl N3 O |
| Smiles: | C1CN(Cc2c1c1ccccc1[nH]2)C(CC(Cn1cccc1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6762 |
| logD: | 4.6762 |
| logSw: | -5.186 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.6821 |
| InChI Key: | LXBSOFBARMSUNQ-IBGZPJMESA-N |