2-[({4-[(Ethylamino)Methyl]-3-(Trifluoromethyl)-1H-Pyrazol-1-Yl}Acetyl)Amino]-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide
Properties
Property | Value |
---|---|
Formula | C18H22F3N5O2S |
IUPAC Name | 2-[[2-[4-(ethylaminomethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide |
Molecular Mass | 429.460 g·mol−1 |
Heat of Formation | -758.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.48 ± 1.08 D |
Volume | 477.56 Å 3 |
Surface Area | 421.89 Å 2 |
HOMO Energy | -8.80 ± 0.55 eV |
LUMO Energy | -0.72 ± eV |
Point Group Symmetry | C1 |
InChIKey | MEANENDBNRVQSP-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |