6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate
Chemical Structure Depiction of
6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate
6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate
Compound characteristics
| Compound ID: | IB05-5382 |
| Compound Name: | 6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate |
| Molecular Weight: | 429.86 |
| Molecular Formula: | C22 H20 Cl N O6 |
| Smiles: | CCC(C(=O)Oc1cc2c(cc1[Cl])C(C)=CC(=O)O2)NC(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.69 |
| logD: | 4.69 |
| logSw: | -5.58 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 131.21 |
| InChI Key: | PHKAQLHLUQMNID-KRWDZBQOSA-N |