3-{5-[(4Ar,7Ar)-2-Amino-6-Benzoyl-3-Methyl-4-Oxo-3,4,4A,5,6,7-Hexahydro-7Ah-Pyrrolo[3,4-D]Pyrimidin-7A-Yl]-3-Thienyl}Benzonitrile
Properties
| Property | Value |
|---|---|
| Formula | C25H21N5O2S |
| IUPAC Name | 3-[5-[(4ar,7ar)-6-benzoyl-2-imino-3-methyl-4-oxo-1,4a,5,7-tetrahydropyrrolo[3,4-d]pyrimidin-7a-yl]-3-thienyl]benzonitrile |
| Molecular Mass | 455.532 g·mol−1 |
| Heat of Formation | 228.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.59 ± 1.08 D |
| Volume | 527.02 Å 3 |
| Surface Area | 427.95 Å 2 |
| HOMO Energy | -9.34 ± 0.55 eV |
| LUMO Energy | 1.84 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | POOXGNGZUXTIQE-CPJSRVTESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |