ethyl 4-({[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}methyl)cyclohexane-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}methyl)cyclohexane-1-carboxylate
ethyl 4-({[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}methyl)cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | F129-0121 |
| Compound Name: | ethyl 4-({[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamamido}methyl)cyclohexane-1-carboxylate |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C22 H29 N3 O5 |
| Smiles: | CCNC1=C(C(=O)Oc2ccccc12)NC(NCC1CCC(CC1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9843 |
| logD: | 2.9319 |
| logSw: | -3.5615 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.261 |
| InChI Key: | WQCRTBWKADJWMA-UHFFFAOYSA-N |