methyl 2-{[1-(4-methylphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(4-methylphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate
methyl 2-{[1-(4-methylphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E864-0098 |
| Compound Name: | methyl 2-{[1-(4-methylphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C27 H25 N3 O3 |
| Smiles: | Cc1ccc(cc1)C1c2c(CCN1C(Nc1ccccc1C(=O)OC)=O)c1ccccc1[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7842 |
| logD: | 5.7838 |
| logSw: | -5.8166 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.368 |
| InChI Key: | BSGXFOKYPNLSME-RUZDIDTESA-N |