7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl N-(4-methylbenzene-1-sulfonyl)norvalinate
Chemical Structure Depiction of
7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl N-(4-methylbenzene-1-sulfonyl)norvalinate
7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl N-(4-methylbenzene-1-sulfonyl)norvalinate
Compound characteristics
| Compound ID: | Y040-3623 |
| Compound Name: | 7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl N-(4-methylbenzene-1-sulfonyl)norvalinate |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C25 H27 N O6 S |
| Smiles: | CCCC(C(=O)Oc1cc(C)cc2c1C1CCCC=1C(=O)O2)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1966 |
| logD: | 5.1965 |
| logSw: | -5.1789 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.785 |
| InChI Key: | TZHRKWDFHIFUQF-FQEVSTJZSA-N |