2-(4,6-dioxo-2,3-diphenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-(4,6-dioxo-2,3-diphenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-(4,6-dioxo-2,3-diphenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 4593-5162 |
| Compound Name: | 2-(4,6-dioxo-2,3-diphenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C26 H21 N3 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(N1C(C3C(c4ccccc4)N(c4ccccc4)OC3C1=O)=O)s2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1546 |
| logD: | 4.1546 |
| logSw: | -4.5919 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.679 |
| InChI Key: | XZNBMIFJAYRVKG-UHFFFAOYSA-N |