2-[[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl]sulfanyl]acetic acid
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![2-[[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl]sulfanyl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2ee5d454c6b944de9a4beb8c4dd456ea.png "2-[[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl]sulfanyl]acetic acid")
2-[[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl]sulfanyl]acetic acid
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CAS No:
565192-24-7
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Formula:
C17H13ClN2O2S2
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Chemical Name:
2-[[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl]sulfanyl]acetic acid
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Synonyms:
565192-24-7;2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid;ZINC3269682;AKOS022231803;MCULE-8934403900;EN300-04274;Z31205714;2-[[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl]sulfanyl]acetic acid;2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0,2,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]sulfanyl}acetic acid;2-{[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl]sulfanyl}acetic acid
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CAS No:
2-[[10-(4-chlorophenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl]sulfanyl]acetic acid Basic Attributes
376.9 g/mol
376.0106977 g/mol
Computed Properties
Molecular Weight:376.9
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:376.0106977
Monoisotopic Mass:376.0106977
Topological Polar Surface Area:117
Heavy Atom Count:24
Complexity:476
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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