3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
Chemical Structure Depiction of
3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
Compound characteristics
| Compound ID: | Y041-1541 |
| Compound Name: | 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate |
| Molecular Weight: | 533.64 |
| Molecular Formula: | C30 H31 N O6 S |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(ccc12)OC(CCCCCNS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8661 |
| logD: | 5.866 |
| logSw: | -5.3958 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.543 |
| InChI Key: | LVFJQPRHPVHQJM-UHFFFAOYSA-N |