3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
Chemical Structure Depiction of
3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
Compound characteristics
| Compound ID: | Y041-1694 |
| Compound Name: | 3-benzyl-4,8-dimethyl-2-oxo-2H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate |
| Molecular Weight: | 547.67 |
| Molecular Formula: | C31 H33 N O6 S |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2C)OC(CCCCCNS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3811 |
| logD: | 6.381 |
| logSw: | -5.4855 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.314 |
| InChI Key: | HKWJXYGZEMHNBL-UHFFFAOYSA-N |