N-[(2S)-1-Amino-3-(2,4-Dichlorophenyl)-2-Propanyl]-5-[2-(Methylamino)-4-Pyrimidinyl]-2-Thiophenecarboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C19H19Cl2N5OS
IUPAC Name n-[(1s)-1-(aminomethyl)-2-(2,4-dichlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
Molecular Mass 436.358 g·mol−1
Heat of Formation 89.1 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 487.97 Å 3
Surface Area 417.14 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s)-1-(aminomethyl)-2-(2,4-dichlorophenyl)ethyl]-5-(2-methylamino-4-pyrimidinyl)-2-thiophenecarboxamide
  • n-[(1s)-1-(aminomethyl)-2-(2,4-dichlorophenyl)ethyl]-5-(2-methylaminopyrimidin-4-yl)thiophene-2-carboxamide
  • n-[(2s)-1-amino-3-(2,4-dichlorophenyl)propan-2-yl]-5-(2-methylaminopyrimidin-4-yl)thiophene-2-carboxamide
InChIKey HHOVRZGUSBMKKU-ZDUSSCGKSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S