3-(1-Azepanyl)-9-(Dimethylamino)Pyrido[3',2':4,5]Thieno[3,2-D]Pyrimidin-4(3H)-One
Properties
Property | Value |
---|---|
Formula | C17H21N5OS |
IUPAC Name | 5-(azepan-1-yl)-13-(dimethylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one |
Molecular Mass | 343.447 g·mol−1 |
Heat of Formation | 189.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.94 ± 1.08 D |
Volume | 400.08 Å 3 |
Surface Area | 341.48 Å 2 |
HOMO Energy | -8.37 ± 0.55 eV |
LUMO Energy | -1.54 ± eV |
Point Group Symmetry | C1 |
InChIKey | GYWGXEGOXODOQU-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |