4-{[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamoyl}-2,6-dimethoxyphenyl ethyl carbonate
Chemical Structure Depiction of
4-{[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamoyl}-2,6-dimethoxyphenyl ethyl carbonate
4-{[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamoyl}-2,6-dimethoxyphenyl ethyl carbonate
Compound characteristics
| Compound ID: | C301-9665 |
| Compound Name: | 4-{[4-(benzylamino)-2-oxo-2H-1-benzopyran-3-yl]carbamoyl}-2,6-dimethoxyphenyl ethyl carbonate |
| Molecular Weight: | 518.52 |
| Molecular Formula: | C28 H26 N2 O8 |
| Smiles: | CCOC(=O)Oc1c(cc(cc1OC)C(NC1=C(c2ccccc2OC1=O)NCc1ccccc1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0858 |
| logD: | 2.7988 |
| logSw: | -3.642 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.084 |
| InChI Key: | TUJCBCFBHITIBD-UHFFFAOYSA-N |