2-{[4-(4-Hydroxy-1-Piperidinyl)Phenyl]Amino}-5,11-Dimethyl-5,11-Dihydro-6H-Pyrimido[4,5-B][1,4]Benzodiazepin-6-One
Properties
Property | Value |
---|---|
Formula | C24H26N6O2 |
IUPAC Name | 2-[4-(4-hydroxy-1-piperidyl)anilino]-5,11-dimethyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one |
Molecular Mass | 430.502 g·mol−1 |
Heat of Formation | 83.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.44 ± 1.08 D |
Volume | 501.99 Å 3 |
Surface Area | 438.46 Å 2 |
HOMO Energy | -8.22 ± 0.55 eV |
LUMO Energy | 2.42 ± eV |
Point Group Symmetry | C1 |
InChIKey | DFQAJLQXPSPNJE-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |