ethyl 4-({[(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)methyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)methyl]carbamothioyl}amino)benzoate
ethyl 4-({[(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)methyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | 8017-1846 |
| Compound Name: | ethyl 4-({[(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)methyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C23 H27 N3 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NCc1cc2CCCN3CCCc(c1)c23)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5172 |
| logD: | 3.5268 |
| logSw: | -4.3003 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.02 |
| InChI Key: | DGFVAGOEJPHIFW-UHFFFAOYSA-N |