4-({3-[(3-methoxyphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl}amino)-4-oxobutanoic acid
Chemical Structure Depiction of
4-({3-[(3-methoxyphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl}amino)-4-oxobutanoic acid
4-({3-[(3-methoxyphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl}amino)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | Y200-5912 |
| Compound Name: | 4-({3-[(3-methoxyphenyl)carbamoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl}amino)-4-oxobutanoic acid |
| Molecular Weight: | 416.49 |
| Molecular Formula: | C21 H24 N2 O5 S |
| Smiles: | COc1cccc(c1)NC(c1c2CCCCCc2sc1NC(CCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3461 |
| logD: | 0.3967 |
| logSw: | -3.7687 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.453 |
| InChI Key: | XABNMMPEFJIHEE-UHFFFAOYSA-N |