7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate
Chemical Structure Depiction of
7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate
7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate
Compound characteristics
| Compound ID: | Y040-3624 |
| Compound Name: | 7-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-9-yl N-(4-methylbenzene-1-sulfonyl)-L-alaninate |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C23 H23 N O6 S |
| Smiles: | Cc1ccc(cc1)S(N[C@@H](C)C(=O)Oc1cc(C)cc2c1C1CCCC=1C(=O)O2)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.1184 |
| logD: | 4.1183 |
| logSw: | -4.3733 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.318 |
| InChI Key: | BNUHDFIQJGHHHN-HNNXBMFYSA-N |