3-(5-chloro-2,4-dimethoxyphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
Chemical Structure Depiction of
3-(5-chloro-2,4-dimethoxyphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
3-(5-chloro-2,4-dimethoxyphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
Compound characteristics
| Compound ID: | Y504-9326 |
| Compound Name: | 3-(5-chloro-2,4-dimethoxyphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C21 H20 Cl N3 O4 S |
| Smiles: | COc1cc(c(cc1C1CC(C(Nc2c(C#N)c3CCCCc3s2)=O)ON=1)[Cl])OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7309 |
| logD: | 2.915 |
| logSw: | -5.003 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.955 |
| InChI Key: | PRWPKKQEBOMDQG-GOSISDBHSA-N |