ethyl 4-{3-(2H-1,3-benzodioxol-5-yl)-2-[(thiophene-2-carbonyl)amino]prop-2-enoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-(2H-1,3-benzodioxol-5-yl)-2-[(thiophene-2-carbonyl)amino]prop-2-enoyl}piperazine-1-carboxylate
ethyl 4-{3-(2H-1,3-benzodioxol-5-yl)-2-[(thiophene-2-carbonyl)amino]prop-2-enoyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 8009-9672 |
| Compound Name: | ethyl 4-{3-(2H-1,3-benzodioxol-5-yl)-2-[(thiophene-2-carbonyl)amino]prop-2-enoyl}piperazine-1-carboxylate |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C22 H23 N3 O6 S |
| Smiles: | CCOC(N1CCN(CC1)C(/C(=C\c1ccc2c(c1)OCO2)NC(c1cccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9734 |
| logD: | 2.4841 |
| logSw: | -3.3679 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.725 |
| InChI Key: | OVUJFGKZCATGMK-UHFFFAOYSA-N |