methyl 4-{[10-(phenylcarbamoyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-ylidene]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[10-(phenylcarbamoyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-ylidene]amino}benzoate
methyl 4-{[10-(phenylcarbamoyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-ylidene]amino}benzoate
Compound characteristics
| Compound ID: | C490-0101 |
| Compound Name: | methyl 4-{[10-(phenylcarbamoyl)-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11-ylidene]amino}benzoate |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C30 H27 N3 O4 |
| Smiles: | COC(c1ccc(cc1)/N=C1/C(=Cc2cc3CCCN4CCCc(c34)c2O1)C(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9903 |
| logD: | 4.9898 |
| logSw: | -4.8447 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.777 |
| InChI Key: | LOSWZCVMWCGTRB-UHFFFAOYSA-N |