methyl 2-{[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | J007-1273 |
| Compound Name: | methyl 2-{[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C19 H23 N3 O4 S |
| Smiles: | Cc1cc(C2CCCN2C(Nc2c(C(=O)OC)c3CCCCc3s2)=O)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4058 |
| logD: | 3.014 |
| logSw: | -3.8084 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.998 |
| InChI Key: | VPLRZDPDWVZSSO-ZDUSSCGKSA-N |