ethyl 4-[[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]benzoate
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ethyl 4-[[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]benzoate
structure -
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CAS No:
764696-00-6
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Formula:
C25H22ClN3O2S2
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Chemical Name:
ethyl 4-[[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]benzoate
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Synonyms:
ZINC2620671;AKOS034155057;MCULE-1342315528;Z31221399;764696-00-6;ethyl 4-[(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]benzoate
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CAS No:
ethyl 4-[[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]benzoate Basic Attributes
496.0 g/mol
495.0841970 g/mol
Computed Properties
Molecular Weight:496.0
XLogP3:7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:495.0841970
Monoisotopic Mass:495.0841970
Topological Polar Surface Area:118
Heavy Atom Count:33
Complexity:658
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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