2-[[10-[(4-chlorophenyl)sulfanylmethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]amino]ethanol
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2-[[10-[(4-chlorophenyl)sulfanylmethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]amino]ethanol
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CAS No:
796056-89-8
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Formula:
C18H18ClN3OS2
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Chemical Name:
2-[[10-[(4-chlorophenyl)sulfanylmethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]amino]ethanol
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Synonyms:
ZINC3336532;AKOS034154688;MCULE-6190838222;AB00729700-01;Z31212221;2-[(10-{[(4-chlorophenyl)sulfanyl]methyl}-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl)amino]ethan-1-ol;796056-89-8
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CAS No:
2-[[10-[(4-chlorophenyl)sulfanylmethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]amino]ethanol Basic Attributes
391.9 g/mol
391.0579822 g/mol
Computed Properties
Molecular Weight:391.9
XLogP3:4.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:391.0579822
Monoisotopic Mass:391.0579822
Topological Polar Surface Area:112
Heavy Atom Count:25
Complexity:439
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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