2-[(3S,4R)-4-{[(3-Bromo-4-Chloro-5-Methyl-1H-Pyrrol-2-Yl)Carbonyl]Amino}-3-Methoxy-1-Piperidinyl]-4-(1-Methyl-1H-1,2,4-Triazol-5-Yl)-1,3-Thiazole-5-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C19H21BrClN7O4S |
IUPAC Name | 2-[(3s,4r)-4-[(3-bromo-4-chloro-5-methyl-1h-pyrrole-2-carbonyl)amino]-3-methoxy-1-piperidyl]-4-(2-methyl-1,2,4-triazol-3-yl)thiazole-5-carboxylic acid |
Molecular Mass | 558.837 g·mol−1 |
Heat of Formation | -289.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.36 ± 1.08 D |
Volume | 566.23 Å 3 |
Surface Area | 436.57 Å 2 |
HOMO Energy | -9.01 ± 0.55 eV |
LUMO Energy | 1.76 ± eV |
Point Group Symmetry | C1 |
InChIKey | IXOKPDRRYHAGRW-ZJUUUORDSA-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 Br |