8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Chemical Structure Depiction of
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y041-2987 |
| Compound Name: | 8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)-beta-alaninate |
| Molecular Weight: | 461.92 |
| Molecular Formula: | C22 H20 Cl N O6 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(=O)Oc1cc2c(cc1[Cl])C1CCCC=1C(=O)O2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1136 |
| logD: | 4.1135 |
| logSw: | -4.5512 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.188 |
| InChI Key: | AZBYJCWAVVFFFN-UHFFFAOYSA-N |