3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-[(tert-butoxycarbonyl)amino]butanoate
Chemical Structure Depiction of
3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-[(tert-butoxycarbonyl)amino]butanoate
3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-[(tert-butoxycarbonyl)amino]butanoate
Compound characteristics
| Compound ID: | IB08-7949 |
| Compound Name: | 3-benzyl-6-chloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-[(tert-butoxycarbonyl)amino]butanoate |
| Molecular Weight: | 485.96 |
| Molecular Formula: | C26 H28 Cl N O6 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(c(cc12)[Cl])OC(CCCNC(=O)OC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.78 |
| logD: | 5.78 |
| logSw: | -6.79 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 124.07 |
| InChI Key: | BMHIBDFSIBACBT-UHFFFAOYSA-N |