N-{4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}isoleucine
Chemical Structure Depiction of
N-{4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}isoleucine
N-{4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}isoleucine
Compound characteristics
Compound ID: | D715-0725 |
Compound Name: | N-{4-[(4-oxoquinazolin-3(4H)-yl)methyl]cyclohexane-1-carbonyl}isoleucine |
Molecular Weight: | 399.49 |
Molecular Formula: | C22 H29 N3 O4 |
Smiles: | CC[C@@H](C)[C@@H](C(O)=O)NC([C@H]1CC[C@@H](CC1)CN1C=Nc2ccccc2C1=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.2054 |
logD: | -2.3817 |
logSw: | -2.2022 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.976 |
InChI Key: | HNUPIHOETWAZJL-XTUQQUOLSA-N |