4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate
Chemical Structure Depiction of
4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate
4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate
Compound characteristics
| Compound ID: | IB08-9537 |
| Compound Name: | 4-butyl-6-chloro-2-oxo-2H-1-benzopyran-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate |
| Molecular Weight: | 471.94 |
| Molecular Formula: | C25 H26 Cl N O6 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OC(C(CC)NC(=O)OCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.11 |
| logD: | 6.11 |
| logSw: | -6.41 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.33 |
| InChI Key: | PKNFJHIQCQMKHC-FQEVSTJZSA-N |