8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 2-methyl-N-(4-methylbenzene-1-sulfonyl)alaninate
Chemical Structure Depiction of
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 2-methyl-N-(4-methylbenzene-1-sulfonyl)alaninate
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 2-methyl-N-(4-methylbenzene-1-sulfonyl)alaninate
Compound characteristics
| Compound ID: | Y040-4501 |
| Compound Name: | 8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 2-methyl-N-(4-methylbenzene-1-sulfonyl)alaninate |
| Molecular Weight: | 475.95 |
| Molecular Formula: | C23 H22 Cl N O6 S |
| Smiles: | Cc1ccc(cc1)S(NC(C)(C)C(=O)Oc1cc2c(cc1[Cl])C1CCCC=1C(=O)O2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4009 |
| logD: | 4.4007 |
| logSw: | -4.6464 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.167 |
| InChI Key: | KEPYJFRHLZKHEW-UHFFFAOYSA-N |