propyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6048-0310 |
| Compound Name: | propyl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C21 H23 N O5 S |
| Smiles: | CCCOC(c1c2CCC(C)Cc2sc1NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0077 |
| logD: | 2.2838 |
| logSw: | -4.8497 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.208 |
| InChI Key: | FONQCDFQSLKTMC-GFCCVEGCSA-N |