methyl 4-{[1-(4-methylphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(4-methylphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate
methyl 4-{[1-(4-methylphenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C800-0356 |
| Compound Name: | methyl 4-{[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(Nc1ccc(cc1)C(=O)OC)=O)c1ccccc1[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7543 |
| logD: | 5.7543 |
| logSw: | -5.8464 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.066 |
| InChI Key: | DFFQPDHOQVVLQG-RUZDIDTESA-N |