3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
Chemical Structure Depiction of
3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
Compound characteristics
| Compound ID: | Y040-3628 |
| Compound Name: | 3,4,7-trimethyl-2-oxo-2H-1-benzopyran-5-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C23 H25 N O6 S |
| Smiles: | CCC(C(=O)Oc1cc(C)cc2c1C(C)=C(C)C(=O)O2)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9509 |
| logD: | 4.9508 |
| logSw: | -4.8148 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.498 |
| InChI Key: | NVWCLVOUKONUCQ-SFHVURJKSA-N |