methyl 4-[(11-imino-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(11-imino-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbonyl)amino]benzoate
methyl 4-[(11-imino-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C490-0240 |
| Compound Name: | methyl 4-[(11-imino-2,3,6,7-tetrahydro-1H,5H,11H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carbonyl)amino]benzoate |
| Molecular Weight: | 417.46 |
| Molecular Formula: | C24 H23 N3 O4 |
| Smiles: | COC(c1ccc(cc1)NC(C1=Cc2cc3CCCN4CCCc(c34)c2OC1=N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4921 |
| logD: | 3.4789 |
| logSw: | -4.029 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.308 |
| InChI Key: | HJVDDJICUDVNOR-UHFFFAOYSA-N |