4-{[3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl]amino}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{[3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl]amino}-4-oxobutanoic acid
4-{[3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl]amino}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y200-5877 |
| Compound Name: | 4-{[3-(ethoxycarbonyl)-5,6,7,8,9,10,11,12,13,14-decahydro-4H-cyclotrideca[b]thiophen-2-yl]amino}-4-oxobutanoic acid |
| Molecular Weight: | 423.57 |
| Molecular Formula: | C22 H33 N O5 S |
| Smiles: | CCOC(c1c2CCCCCCCCCCCc2sc1NC(CCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3528 |
| logD: | 2.4034 |
| logSw: | -4.9984 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.571 |
| InChI Key: | PUGRHIWSFJDCHB-UHFFFAOYSA-N |