5-{[6-tert-butyl-3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid
Chemical Structure Depiction of
5-{[6-tert-butyl-3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid
5-{[6-tert-butyl-3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid
Compound characteristics
| Compound ID: | Y205-7772 |
| Compound Name: | 5-{[6-tert-butyl-3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid |
| Molecular Weight: | 420.57 |
| Molecular Formula: | C22 H32 N2 O4 S |
| Smiles: | CC(CC(O)=O)CC(Nc1c(C(NC2CC2)=O)c2CCC(Cc2s1)C(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6017 |
| logD: | 1.0352 |
| logSw: | -3.8767 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.956 |
| InChI Key: | BGBSVOSLTMPLKU-UHFFFAOYSA-N |