methyl 2-[(butoxycarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(butoxycarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(butoxycarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3992-2045 |
| Compound Name: | methyl 2-[(butoxycarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 311.4 |
| Molecular Formula: | C15 H21 N O4 S |
| Smiles: | CCCCOC(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2376 |
| logD: | 1.2878 |
| logSw: | -4.2544 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.865 |
| InChI Key: | TZLJZTIRZVAMLP-UHFFFAOYSA-N |