7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
Chemical Structure Depiction of
7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate
Compound characteristics
| Compound ID: | Y040-3645 |
| Compound Name: | 7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl 2-[(4-methylbenzene-1-sulfonyl)amino]butanoate |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C24 H25 N O6 S |
| Smiles: | CCC(C(=O)Oc1cc(C)cc2c1C1CCCC=1C(=O)O2)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7722 |
| logD: | 4.7721 |
| logSw: | -4.7177 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.785 |
| InChI Key: | DEXRSRMVRRBHLM-IBGZPJMESA-N |