Formula |
C26H23ClN2O6S |
IUPAC Name |
(2s)-n-(4-chloro-3-methoxy-1-oxo-isochromen-7-yl)-3-phenyl-2-(p-tolylsulfonylamino)propanamide |
Molecular Mass |
526.989 g·mol−1 |
Heat of Formation |
-749.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.10 ± 1.08 D |
Volume |
579.21 Å 3 |
Surface Area |
440.99 Å 2 |
HOMO Energy |
-8.52 ± 0.55 eV |
LUMO Energy |
-1.29 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (2s)-n-(4-chloro-1-keto-3-methoxy-isochromen-7-yl)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propionamide
- (2s)-n-(4-chloro-3-methoxy-1-oxo-7-isochromenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
- (2s)-n-(4-chloro-3-methoxy-1-oxo-isochromen-7-yl)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanamide
- (2s)-n-(4-chloro-3-methoxy-1-oxoisochromen-7-yl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
- 7-((n-tosylphenylalanyl)amino)-4-chloro-3-methoxyisocoumarin
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CAS Number(s) |
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InChIKey |
BBTYOKUUVRVXQH-QFIPXVFZSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
C
Cl
H
O
N
S
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