ethyl 2-({N-[3-(morpholin-4-yl)propyl]glycyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate--oxalic acid (1/2)
Chemical Structure Depiction of
ethyl 2-({N-[3-(morpholin-4-yl)propyl]glycyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate--oxalic acid (1/2)
ethyl 2-({N-[3-(morpholin-4-yl)propyl]glycyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate--oxalic acid (1/2)
Compound characteristics
| Compound ID: | 3344-1439 |
| Compound Name: | ethyl 2-({N-[3-(morpholin-4-yl)propyl]glycyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate--oxalic acid (1/2) |
| Molecular Weight: | 603.64 |
| Molecular Formula: | C21 H33 N3 O4 S |
| Salt: | 2HOOCCOOH |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CNCCCN1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0111 |
| logD: | -0.062 |
| logSw: | -2.3083 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.686 |
| InChI Key: | LGCRDGQQXXIVKI-UHFFFAOYSA-N |