ethyl 2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | G786-0343 |
| Compound Name: | ethyl 2-[(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C21 H23 N O5 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(c1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6973 |
| logD: | 0.9735 |
| logSw: | -4.2136 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.952 |
| InChI Key: | IZQJHYIFUUTRDH-UHFFFAOYSA-N |