(4R)-N-(4-{[2-(Dimethylamino)Ethyl]Carbamoyl}-1,3-Thiazol-2-Yl)-4-Methyl-1-Oxo-2,3,4,9-Tetrahydro-1H-β-Carboline-6-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C21H24N6O3S
IUPAC Name n-[2-(dimethylamino)ethyl]-2-[[(4r)-4-methyl-1-oxo-3,4-dihydro-2h-pyrido[3,4-b]indol-9-ium-8a-ylium-6-carbonyl]amino]thiazole-4-carboxamide
Molecular Mass 440.519 g·mol−1
Heat of Formation -202.5 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 506.21 Å 3
Surface Area 454.37 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-n-[4-(2-dimethylaminoethylcarbamoyl)-1,3-thiazol-2-yl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
  • (4r)-n-[4-(2-dimethylaminoethylcarbamoyl)thiazol-2-yl]-1-keto-4-methyl-2,3,4,9-tetrahydro-$b-carboline-6-carboxamide
  • (4r)-n-[4-(2-dimethylaminoethylcarbamoyl)thiazol-2-yl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
  • (4r)-n-[4-[(2-dimethylaminoethylamino)-oxomethyl]-2-thiazolyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
  • b18
InChIKey QWFFPYQWUWLDBV-NSHDSACASA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N