5-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]amino}-5-oxopentanoic acid
Chemical Structure Depiction of
5-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]amino}-5-oxopentanoic acid
5-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]amino}-5-oxopentanoic acid
Compound characteristics
| Compound ID: | Y200-5948 |
| Compound Name: | 5-{[3-(ethoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]amino}-5-oxopentanoic acid |
| Molecular Weight: | 423.57 |
| Molecular Formula: | C22 H33 N O5 S |
| Smiles: | CCOC(c1c2CCCCCCCCCCc2sc1NC(CCCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8974 |
| logD: | 2.3002 |
| logSw: | -4.5171 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.571 |
| InChI Key: | JSAOTYACARQDQV-UHFFFAOYSA-N |