methyl 2-[(butoxycarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(butoxycarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(butoxycarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3992-2048 |
| Compound Name: | methyl 2-[(butoxycarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 325.43 |
| Molecular Formula: | C16 H23 N O4 S |
| Smiles: | CCCCOC(Nc1c(C(=O)OC)c2CCC(C)Cc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6715 |
| logD: | 1.7217 |
| logSw: | -4.5311 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.865 |
| InChI Key: | QVBMJMVZBSVZKQ-SNVBAGLBSA-N |