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2-chloro-5-(5-{[(4Z)-9,11-dimethyl-3-oxo-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-4-ylidene]methyl}furan-2-yl)benzoic acid

2-chloro-5-(5-{[(4Z)-9,11-dimethyl-3-oxo-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-4-ylidene]methyl}furan-2-yl)benzoic acid

Formula: C23H15ClN2O4S

SMILES: CC1=CC(C)=C2N=C3SC(=C/C4=CC=C(O4)C4=CC=C(Cl)C(=C4)C(O)=O)C(=O)N3C2=C1

IUPAC: 2-chloro-5-(5-{[(4Z)-9,11-dimethyl-3-oxo-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-4-ylidene]methyl}furan-2-yl)benzoic acid

InChI: InChI=1S/C23H15ClN2O4S/c1-11-7-12(2)20-17(8-11)26-21(27)19(31-23(26)25-20)10-14-4-6-18(30-14)13-3-5-16(24)15(9-13)22(28)29/h3-10H,1-2H3,(H,28,29)/b19-10-

Composition: C (61.27%), H (3.35%), Cl (7.86%), N (6.21%), O (14.19%), S (7.11%)

Molar Mass: 450.89

Atom Count: 46

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 450.0441058
Formal Charge 0
FSP3 0.09
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey HFYHPRVQAZPVTK-GRSHGNNSSA-N
Lipinski's Rule of Five
Molar Refractivity 120.29
Topological Polar Surface Area 85.33
Polarizability 47.48
Ring Count 5
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H15ClN2O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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