Formula |
C19H18N4O3S |
IUPAC Name |
1-[(1r,2r)-2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)cyclopropyl]-3-(5-cyano-2-pyridyl)thiourea |
Molecular Mass |
382.436 g·mol−1 |
Heat of Formation |
-17.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
9.06 ± 1.08 D |
Volume |
444.57 Å 3 |
Surface Area |
382.27 Å 2 |
HOMO Energy |
-8.63 ± 0.55 eV |
LUMO Energy |
-0.96 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1-[(1r,2r)-2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)cyclopropyl]-3-(5-cyano-2-pyridyl)thiourea
- 1-[(1r,2r)-2-(3-acetyl-2-hydroxy-6-methoxyphenyl)cyclopropyl]-3-(5-cyano-2-pyridyl)thiourea
- 1-[(1r,2r)-2-(3-acetyl-2-hydroxy-6-methoxyphenyl)cyclopropyl]-3-(5-cyanopyridin-2-yl)thiourea
- 1-[2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)-cyclopropyl]-3-(5-cyano-pyridin-2-yl)-thiourea
- 3-(5-cyanopyridin-2-yl)-1-[(1r,2r)-2-(3-ethanoyl-2-hydroxy-6-methoxy-phenyl)cyclopropyl]thiourea
- msc-194
- msc194
- msd
- n-[(1r,2r)-2-(3-acetyl-2-hydroxy-6-methoxyphenyl)cyclopropyl]-n'-(5-cyanopyridin-2-yl)thiourea
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InChIKey |
FSRLCMRWYUJTNT-UONOGXRCSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
S
O
N
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