4-[(9-Cyclopentyl-7,7-Difluoro-5-Methyl-6-Oxo-6,7,8,9-Tetrahydro-5H-Pyrimido[4,5-B][1,4]Diazepin-2-Yl)Amino]-2-Fluoro-5-Methoxy-N-(1-Methyl-4-Piperidinyl)Benzamide
Properties
| Property | Value |
|---|---|
| Formula | C27H34F3N7O3 |
| IUPAC Name | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8h-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-n-(1-methyl-4-piperidyl)benzamide |
| Molecular Mass | 561.599 g·mol−1 |
| Heat of Formation | -849.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.91 ± 1.08 D |
| Volume | 661.06 Å 3 |
| Surface Area | 505.64 Å 2 |
| HOMO Energy | -8.90 ± 0.55 eV |
| LUMO Energy | 1.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GWRSATNRNFYMDI-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |