methyl 2-{[1-(2-fluorophenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(2-fluorophenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate
methyl 2-{[1-(2-fluorophenyl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indole-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E864-0011 |
| Compound Name: | methyl 2-{[1-(2-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(c1ccccc1NC(N1CCc2c3ccccc3[nH]c2C1c1ccccc1F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5474 |
| logD: | 5.5471 |
| logSw: | -5.763 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.368 |
| InChI Key: | YSUGWRSIXFKRLG-XMMPIXPASA-N |