ethyl 4-[(2-{[(3-methylthiophen-2-yl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(2-{[(3-methylthiophen-2-yl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonyl)amino]benzoate
ethyl 4-[(2-{[(3-methylthiophen-2-yl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | K801-0682 |
| Compound Name: | ethyl 4-[(2-{[(3-methylthiophen-2-yl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonyl)amino]benzoate |
| Molecular Weight: | 468.64 |
| Molecular Formula: | C25 H28 N2 O3 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(c1c2CCCCCc2sc1NCc1c(C)ccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8673 |
| logD: | 6.8671 |
| logSw: | -5.6647 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.382 |
| InChI Key: | ASLDPTTZEAXEDC-UHFFFAOYSA-N |