ethyl 4-({[5-(3-fluorophenyl)isoquinolin-8-yl]methyl}carbamamido)benzoate
Chemical Structure Depiction of
ethyl 4-({[5-(3-fluorophenyl)isoquinolin-8-yl]methyl}carbamamido)benzoate
ethyl 4-({[5-(3-fluorophenyl)isoquinolin-8-yl]methyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | V009-5563 |
| Compound Name: | ethyl 4-({[5-(3-fluorophenyl)isoquinolin-8-yl]methyl}carbamamido)benzoate |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C26 H22 F N3 O3 |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc(cc1)NC(NCc1ccc(c2cccc(c2)F)c2ccncc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9431 |
| logD: | 5.9431 |
| logSw: | -5.4704 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.592 |
| InChI Key: | ATWQGTLKZLTNHZ-UHFFFAOYSA-N |