ethyl 4-({[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}methyl)cyclohexane-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}methyl)cyclohexane-1-carboxylate
ethyl 4-({[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}methyl)cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | F129-0054 |
| Compound Name: | ethyl 4-({[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}methyl)cyclohexane-1-carboxylate |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C21 H27 N3 O5 |
| Smiles: | CCOC(C1CCC(CC1)CNC(NC1=C(c2ccccc2OC1=O)NC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6218 |
| logD: | 2.5873 |
| logSw: | -3.3635 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.786 |
| InChI Key: | HQSRYVWNJJPENA-UHFFFAOYSA-N |