3-({4-[(5-Chloro-1,3-Benzodioxol-4-Yl)Amino]-2-Pyrimidinyl}Amino)Benzamide
Properties
| Property | Value |
|---|---|
| Formula | C18H14ClN5O3 |
| IUPAC Name | 3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]benzamide |
| Molecular Mass | 383.788 g·mol−1 |
| Heat of Formation | -85.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.70 ± 1.08 D |
| Volume | 409.17 Å 3 |
| Surface Area | 369.84 Å 2 |
| HOMO Energy | -8.67 ± 0.55 eV |
| LUMO Energy | -0.77 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZVQZIVCQLFGXFZ-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C Cl O N |