2-[2-(2-methylphenyl)-4,6-dioxo-3-(thiophen-2-yl)hexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-[2-(2-methylphenyl)-4,6-dioxo-3-(thiophen-2-yl)hexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-[2-(2-methylphenyl)-4,6-dioxo-3-(thiophen-2-yl)hexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 4593-5711 |
| Compound Name: | 2-[2-(2-methylphenyl)-4,6-dioxo-3-(thiophen-2-yl)hexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C25 H21 N3 O3 S2 |
| Smiles: | Cc1ccccc1N1C(C2C(C(N(C2=O)c2c(C#N)c3CCCCc3s2)=O)O1)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2178 |
| logD: | 4.2178 |
| logSw: | -4.6091 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.397 |
| InChI Key: | ODKVWSKHQDRQMD-UHFFFAOYSA-N |