methyl 2-{[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | J007-1276 |
| Compound Name: | methyl 2-{[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Smiles: | CCCc1cc(C2CCCN2C(Nc2c(C(=O)OC)c3CCCCc3s2)=O)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6289 |
| logD: | 4.1342 |
| logSw: | -4.52 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.362 |
| InChI Key: | UMPGYIDLFOQYSU-INIZCTEOSA-N |