4-[(6-tert-butyl-3-{[2-(methoxycarbonyl)phenyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[(6-tert-butyl-3-{[2-(methoxycarbonyl)phenyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
4-[(6-tert-butyl-3-{[2-(methoxycarbonyl)phenyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 4488-2010 |
| Compound Name: | 4-[(6-tert-butyl-3-{[2-(methoxycarbonyl)phenyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C25 H30 N2 O6 S |
| Smiles: | CC(C)(C)C1CCc2c(C(Nc3ccccc3C(=O)OC)=O)c(NC(CCC(O)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2638 |
| logD: | 1.3144 |
| logSw: | -4.4002 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.054 |
| InChI Key: | TTWCFXZCJLSMOP-CQSZACIVSA-N |