9-Cyclopentyl-2-{[4-(4-Hydroxy-1-Piperidinyl)-2-Methoxyphenyl]Amino}-5-Methyl-5,7,8,9-Tetrahydro-6H-Pyrimido[4,5-B][1,4]Diazepin-6-One
Properties
| Property | Value |
|---|---|
| Formula | C25H34N6O3 |
| IUPAC Name | 9-cyclopentyl-2-[4-(4-hydroxy-1-piperidyl)-2-methoxy-anilino]-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one |
| Molecular Mass | 466.576 g·mol−1 |
| Heat of Formation | -270.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.83 ± 1.08 D |
| Volume | 563.4 Å 3 |
| Surface Area | 476.68 Å 2 |
| HOMO Energy | -8.07 ± 0.55 eV |
| LUMO Energy | 2.75 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KBILTEUAXWLXKP-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 |