Formula |
C18H18ClN3O3S |
IUPAC Name |
1-[(1r,2r)-2-(3-acetyl-2-hydroxy-6-methoxy-phenyl)cyclopropyl]-3-(5-chloro-2-pyridyl)thiourea |
Molecular Mass |
391.872 g·mol−1 |
Heat of Formation |
-226.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.04 ± 1.08 D |
Volume |
439.37 Å 3 |
Surface Area |
332.82 Å 2 |
HOMO Energy |
-8.33 ± 0.55 eV |
LUMO Energy |
-1.03 ± 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-chloro-2-pyridyl)thiourea
- 1-[(1r,2r)-2-(3-acetyl-2-hydroxy-6-methoxyphenyl)cyclopropyl]-3-(5-chloro-2-pyridyl)thiourea
- 1-[(1r,2r)-2-(3-acetyl-2-hydroxy-6-methoxyphenyl)cyclopropyl]-3-(5-chloropyridin-2-yl)thiourea
- 3-(5-chloropyridin-2-yl)-1-[(1r,2r)-2-(3-ethanoyl-2-hydroxy-6-methoxy-phenyl)cyclopropyl]thiourea
- msa-300
- n-[cis-2-(2-hydroxy-3-acetyl-6-methoxy-phenyl)cyclopropyl]-n'-(5-chloro-2-pyridinyl)-thiourea
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InChIKey |
MEFOXQVPZPBMPY-QWHCGFSZSA-N |
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Links |
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Downloads |
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Elements |
C
Cl
H
O
N
S
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