2-methyl-3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
Chemical Structure Depiction of
2-methyl-3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
2-methyl-3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
Compound characteristics
| Compound ID: | Y040-8032 |
| Compound Name: | 2-methyl-3-(4-nitrophenyl)-4-oxo-4H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate |
| Molecular Weight: | 564.61 |
| Molecular Formula: | C29 H28 N2 O8 S |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OC(CCCCCNS(c1ccc(C)cc1)(=O)=O)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4065 |
| logD: | 5.4065 |
| logSw: | -5.1616 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.361 |
| InChI Key: | GDEBHZNIZFOBMN-UHFFFAOYSA-N |