6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Chemical Structure Depiction of
6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate
Compound characteristics
| Compound ID: | Y040-3636 |
| Compound Name: | 6-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl N-(4-methylbenzene-1-sulfonyl)-L-valinate |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C25 H27 N O6 S |
| Smiles: | CC(C)[C@@H](C(=O)Oc1ccc2C3CCCC=3C(=O)Oc2c1C)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.7087 |
| logD: | 4.7087 |
| logSw: | -4.4386 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.191 |
| InChI Key: | LGKWQNBJJNOKQP-QFIPXVFZSA-N |