methyl 3-{[1-(4-fluorophenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[1-(4-fluorophenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate
methyl 3-{[1-(4-fluorophenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E864-0249 |
| Compound Name: | methyl 3-{[1-(4-fluorophenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C26 H22 F N3 O3 |
| Smiles: | COC(c1cccc(c1)NC(N1CCc2c3ccccc3[nH]c2C1c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5406 |
| logD: | 5.5406 |
| logSw: | -5.8873 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.066 |
| InChI Key: | DUCMWVJKGBTVNK-XMMPIXPASA-N |