ethyl 2-{[(prop-2-en-1-yl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(prop-2-en-1-yl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{[(prop-2-en-1-yl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3379-1696 |
| Compound Name: | ethyl 2-{[(prop-2-en-1-yl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 338.49 |
| Molecular Formula: | C16 H22 N2 O2 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(NCC=C)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9557 |
| logD: | 3.6184 |
| logSw: | -4.092 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.296 |
| InChI Key: | DSIPLYKUIJIAAX-UHFFFAOYSA-N |