7-Chloro-N-[(1S,2R,4S)-4-(Dimethylcarbamoyl)-2-{[(5-Methyl-5,6-Dihydro-4H-Pyrrolo[3,4-D][1,3]Thiazol-2-Yl)Carbonyl]Amino}Cyclohexyl]-3-Isoquinolinecarboxamide
Properties
| Property | Value |
|---|---|
| Formula | C26H29ClN6O3S |
| IUPAC Name | n-[(1r,2s,5s)-2-[(7-chloroisoquinoline-3-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-4,6-dihydropyrrolo[3,4-d]thiazole-2-carboxamide |
| Molecular Mass | 541.065 g·mol−1 |
| Heat of Formation | -193.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.52 ± 1.08 D |
| Volume | 618.21 Å 3 |
| Surface Area | 530.85 Å 2 |
| HOMO Energy | -9.18 ± 0.55 eV |
| LUMO Energy | -1.43 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GZCKMZURFJCTJE-ZYSHUDEJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |