methyl N-(4,5-dihydronaphtho[1,2-b]thiophene-2-carbonyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-(4,5-dihydronaphtho[1,2-b]thiophene-2-carbonyl)-beta-alaninate
methyl N-(4,5-dihydronaphtho[1,2-b]thiophene-2-carbonyl)-beta-alaninate
Compound characteristics
| Compound ID: | Y040-9021 |
| Compound Name: | methyl N-(4,5-dihydronaphtho[1,2-b]thiophene-2-carbonyl)-beta-alaninate |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C17 H17 N O3 S |
| Smiles: | COC(CCNC(c1cc2CCc3ccccc3c2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1348 |
| logD: | 3.1348 |
| logSw: | -3.5971 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.011 |
| InChI Key: | NMXLRWVPPCUXIB-UHFFFAOYSA-N |