2-oxo-2H-1-benzopyran-7-yl 4-{[(4-methylbenzene-1-sulfonyl)amino]methyl}cyclohexane-1-carboxylate
Chemical Structure Depiction of
2-oxo-2H-1-benzopyran-7-yl 4-{[(4-methylbenzene-1-sulfonyl)amino]methyl}cyclohexane-1-carboxylate
2-oxo-2H-1-benzopyran-7-yl 4-{[(4-methylbenzene-1-sulfonyl)amino]methyl}cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | Y040-5616 |
| Compound Name: | 2-oxo-2H-1-benzopyran-7-yl 4-{[(4-methylbenzene-1-sulfonyl)amino]methyl}cyclohexane-1-carboxylate |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C24 H25 N O6 S |
| Smiles: | Cc1ccc(cc1)S(NC[C@H]1CC[C@@H](CC1)C(=O)Oc1ccc2C=CC(=O)Oc2c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7345 |
| logD: | 4.7345 |
| logSw: | -4.5894 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.974 |
| InChI Key: | AAOLGZDCDGZFHS-UHFFFAOYSA-N |