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

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Properties Simple | Detailed

Formula C26H29ClN6O3S
IUPAC Name (5r)-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
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