ethyl 4-{[3-(cyclopropylcarbamoyl)-4-(3,4-dihydroisoquinolin-2(1H)-yl)phenyl]carbamamido}benzoate
Chemical Structure Depiction of
ethyl 4-{[3-(cyclopropylcarbamoyl)-4-(3,4-dihydroisoquinolin-2(1H)-yl)phenyl]carbamamido}benzoate
ethyl 4-{[3-(cyclopropylcarbamoyl)-4-(3,4-dihydroisoquinolin-2(1H)-yl)phenyl]carbamamido}benzoate
Compound characteristics
Compound ID: | V014-5665 |
Compound Name: | ethyl 4-{[3-(cyclopropylcarbamoyl)-4-(3,4-dihydroisoquinolin-2(1H)-yl)phenyl]carbamamido}benzoate |
Molecular Weight: | 498.58 |
Molecular Formula: | C29 H30 N4 O4 |
Salt: | not_available |
Smiles: | CCOC(c1ccc(cc1)NC(Nc1ccc(c(c1)C(NC1CC1)=O)N1CCc2ccccc2C1)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.9974 |
logD: | 5.9974 |
logSw: | -5.4902 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 80.578 |
InChI Key: | GNVHMLUTMRZPJV-UHFFFAOYSA-N |