3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
Chemical Structure Depiction of
3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
Compound characteristics
| Compound ID: | Y040-4488 |
| Compound Name: | 3,6-dichloro-4-methyl-2-oxo-2H-1-benzopyran-7-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate |
| Molecular Weight: | 484.35 |
| Molecular Formula: | C21 H19 Cl2 N O6 S |
| Smiles: | CCC(C(=O)Oc1cc2c(cc1[Cl])C(C)=C(C(=O)O2)[Cl])NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1517 |
| logD: | 5.1516 |
| logSw: | -5.5452 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.498 |
| InChI Key: | BBGZLVONCXZFBZ-INIZCTEOSA-N |