3-(2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7,8-diyl diacetate
Chemical Structure Depiction of
3-(2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7,8-diyl diacetate
3-(2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7,8-diyl diacetate
Compound characteristics
| Compound ID: | IB07-0471 |
| Compound Name: | 3-(2-{[2-(4-methoxyphenyl)ethyl]amino}-2-oxoethyl)-4-methyl-2-oxo-2H-1-benzopyran-7,8-diyl diacetate |
| Molecular Weight: | 467.47 |
| Molecular Formula: | C25 H25 N O8 |
| Smiles: | CC1=C(CC(NCCc2ccc(cc2)OC)=O)C(=O)Oc2c1ccc(c2OC(C)=O)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.23 |
| logD: | 2.23 |
| logSw: | -2.95 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 169.95 |
| InChI Key: | JFLHIAFTRZZMGN-UHFFFAOYSA-N |