N~2~-(1-Cyclopentyl-4-Oxo-4,7-Dihydro-1H-Pyrazolo[3,4-D]Pyrimidin-6-Yl)-N-(4-Methoxyphenyl)-D-Alaninamide
Properties
Property | Value |
---|---|
Formula | C20H24N6O3 |
IUPAC Name | (2r)-2-[(1-cyclopentyl-4-oxo-3,7-dihydropyrazolo[3,4-d]pyrimidine-2,3,3a,5,6,7a-hexaid-6-yl)amino]-n-(4-methoxyphenyl)propanamide |
Molecular Mass | 396.443 g·mol−1 |
Heat of Formation | 3126.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.12 ± 1.08 D |
Volume | 419.76 Å 3 |
Surface Area | 335.92 Å 2 |
HOMO Energy | -10.15 ± 0.55 eV |
LUMO Energy | -3.21 ± eV |
Point Group Symmetry | C1 |
InChIKey | UBBCZBKJYNXHGT-GFCCVEGCSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | C O N |