ethyl 3-{[1-(piperidin-1-yl)isoquinoline-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[1-(piperidin-1-yl)isoquinoline-4-carbonyl]amino}benzoate
ethyl 3-{[1-(piperidin-1-yl)isoquinoline-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G817-0644 |
| Compound Name: | ethyl 3-{[1-(piperidin-1-yl)isoquinoline-4-carbonyl]amino}benzoate |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C24 H25 N3 O3 |
| Smiles: | CCOC(c1cccc(c1)NC(c1cnc(c2ccccc12)N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.511 |
| logD: | 5.509 |
| logSw: | -5.5 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.335 |
| InChI Key: | NVOPPQNBVUHFQZ-UHFFFAOYSA-N |