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3-{2,4-dimethyl-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid

3-{2,4-dimethyl-5-[(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid

CAS: 251356-45-3

Formula: C24H22N2O3

SMILES: CC1=C(CCC(O)=O)C(C)=C(N1)C=C1C(=O)NC2=C1C=CC(=C2)C1=CC=CC=C1

IUPAC: 3-{2,4-dimethyl-5-[(2-oxo-6-phenyl-2,3-dihydro-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid

InChI: InChI=1S/C24H22N2O3/c1-14-18(10-11-23(27)28)15(2)25-21(14)13-20-19-9-8-17(12-22(19)26-24(20)29)16-6-4-3-5-7-16/h3-9,12-13,25H,10-11H2,1-2H3,(H,26,29)(H,27,28)

Composition: C (74.59%), H (5.74%), N (7.25%), O (12.42%)

Molar Mass: 386.451

Atom Count: 51

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 386.163042576
Formal Charge 0
FSP3 0.17
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey APYYTEJNOZQZNA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 115.6
Topological Polar Surface Area 82.19
Polarizability 43.88
Ring Count 4
Rotatable Bond Count 5

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