methyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | R052-0800 |
| Compound Name: | methyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 225.31 |
| Molecular Formula: | C11 H15 N O2 S |
| Smiles: | CC1CCc2c(C(=O)OC)c(N)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6603 |
| logD: | 2.6603 |
| logSw: | -2.8018 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.609 |
| InChI Key: | YHYBWJHQHFHSSW-ZCFIWIBFSA-N |