propan-2-yl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-5211 |
| Compound Name: | propan-2-yl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 343.87 |
| Molecular Formula: | C16 H22 Cl N O3 S |
| Smiles: | CC1CCc2c(C(=O)OC(C)C)c(NC(CC[Cl])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1195 |
| logD: | 1.9904 |
| logSw: | -4.2808 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.535 |
| InChI Key: | ULEKZGIWWKCJKL-SNVBAGLBSA-N |