8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)norvalinate
Chemical Structure Depiction of
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)norvalinate
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)norvalinate
Compound characteristics
| Compound ID: | Y040-4498 |
| Compound Name: | 8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)norvalinate |
| Molecular Weight: | 489.97 |
| Molecular Formula: | C24 H24 Cl N O6 S |
| Smiles: | CCCC(C(=O)Oc1cc2c(cc1[Cl])C1CCCC=1C(=O)O2)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2452 |
| logD: | 5.2452 |
| logSw: | -5.6209 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.785 |
| InChI Key: | DLUPXRVLVDNXFK-FQEVSTJZSA-N |