methyl N-[2-(1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]glycinate
Chemical Structure Depiction of
methyl N-[2-(1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]glycinate
methyl N-[2-(1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]glycinate
Compound characteristics
| Compound ID: | Y044-0722 |
| Compound Name: | methyl N-[2-(1H-pyrrol-1-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonyl]glycinate |
| Molecular Weight: | 304.37 |
| Molecular Formula: | C15 H16 N2 O3 S |
| Smiles: | COC(CNC(c1c2CCCc2sc1n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5164 |
| logD: | 2.5164 |
| logSw: | -2.5202 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.843 |
| InChI Key: | BNRFAQMUIKVHLM-UHFFFAOYSA-N |