5-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenylpyrrolidin-3-ylidene]amino}-2-hydroxybenzoic acid

5-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenylpyrrolidin-3-ylidene]amino}-2-hydroxybenzoic acid

CAS: 6167-23-3

Formula: C21H20N2O6

SMILES: CCOC(=O)C1(C)CC(=NC2=CC=C(O)C(=C2)C(O)=O)C(=O)N1C1=CC=CC=C1

IUPAC: 5-{[5-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenylpyrrolidin-3-ylidene]amino}-2-hydroxybenzoic acid

InChI: InChI=1/C21H20N2O6/c1-3-29-20(28)21(2)12-16(18(25)23(21)14-7-5-4-6-8-14)22-13-9-10-17(24)15(11-13)19(26)27/h4-11,24H,3,12H2,1-2H3,(H,26,27)

Composition: C (63.63%), H (5.09%), N (7.07%), O (24.22%)

Molar Mass: 396.399

Atom Count: 49

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	396.132136372
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	ZKUKTIYJFDGQQV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.57
Topological Polar Surface Area	116.5
Polarizability	39.59
Ring Count	3
Rotatable Bond Count	6

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