ethyl 2-{[2-(3,4-dihydroquinolin-1(2H)-yl)ethyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2-(3,4-dihydroquinolin-1(2H)-yl)ethyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[2-(3,4-dihydroquinolin-1(2H)-yl)ethyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C270-0710 |
| Compound Name: | ethyl 2-{[2-(3,4-dihydroquinolin-1(2H)-yl)ethyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 427.56 |
| Molecular Formula: | C23 H29 N3 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(NCCN1CCCc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6247 |
| logD: | 3.5575 |
| logSw: | -4.3732 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.986 |
| InChI Key: | JNVMDODPDTVOGF-UHFFFAOYSA-N |