methyl 2-[(2-phenylcyclopropane-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(2-phenylcyclopropane-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(2-phenylcyclopropane-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8012-3701 |
| Compound Name: | methyl 2-[(2-phenylcyclopropane-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 355.45 |
| Molecular Formula: | C20 H21 N O3 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(C1CC1c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4781 |
| logD: | 0.7989 |
| logSw: | -4.5315 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.47 |
| InChI Key: | QCMLNZDHFKHCCA-UHFFFAOYSA-N |