[2-amino-3-(ethoxycarbonyl)-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,3'-indol]-1'(2'H)-yl]acetic acid
Chemical Structure Depiction of
[2-amino-3-(ethoxycarbonyl)-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,3'-indol]-1'(2'H)-yl]acetic acid
[2-amino-3-(ethoxycarbonyl)-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,3'-indol]-1'(2'H)-yl]acetic acid
Compound characteristics
| Compound ID: | Y070-4640 |
| Compound Name: | [2-amino-3-(ethoxycarbonyl)-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[[1]benzopyran-4,3'-indol]-1'(2'H)-yl]acetic acid |
| Molecular Weight: | 440.45 |
| Molecular Formula: | C23 H24 N2 O7 |
| Smiles: | CCOC(C1=C(N)OC2CC(C)(C)CC(C=2C12C(N(CC(O)=O)c1ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9922 |
| logD: | -3.2842 |
| logSw: | -2.3557 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.424 |
| InChI Key: | QGTXDQSNGCTFPI-HSZRJFAPSA-N |