Formula |
C27H30N6O4S |
IUPAC Name |
methyl 2-[[(1r,3s)-1-[(3-methylimidazol-4-yl)methyl]-6-phenyl-3,4-dihydro-2h-quinolin-3-yl]-(1-methylimidazol-4-yl)sulfonyl-amino]acetate |
Molecular Mass |
534.630 g·mol−1 |
Heat of Formation |
-199.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.36 ± 1.08 D |
Volume |
627.24 Å 3 |
Surface Area |
482.97 Å 2 |
HOMO Energy |
-8.19 ± 0.55 eV |
LUMO Energy |
3.25 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[[(3s)-1-[(3-methyl-4-imidazolyl)methyl]-6-phenyl-3,4-dihydro-2h-quinolin-3-yl]-[(1-methyl-4-imidazolyl)sulfonyl]amino]acetic acid methyl ester
- 2-[[(3s)-1-[(3-methylimidazol-4-yl)methyl]-6-phenyl-3,4-dihydro-2h-quinolin-3-yl]-(1-methylimidazol-4-yl)sulfonyl-amino]acetic acid methyl ester
- methyl 2-[[(3s)-1-[(3-methylimidazol-4-yl)methyl]-6-phenyl-3,4-dihydro-2h-quinolin-3-yl]-(1-methylimidazol-4-yl)sulfonyl-amino]ethanoate
- s48
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InChIKey |
AXHJABJJHXFRSM-QHCPKHFHSA-N |
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Elements |
H
C
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O
N
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