N-{2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide

N-{2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide

CAS: 1072959-67-1

Formula: C22H24N4O4

SMILES: CN(C)CCOC1=C(NC(=O)C2COC3=CC=CC=C3O2)C=CC(=C1)C1=CNN=C1

IUPAC: N-{2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide

InChI: InChI=1/C22H24N4O4/c1-26(2)9-10-28-20-11-15(16-12-23-24-13-16)7-8-17(20)25-22(27)21-14-29-18-5-3-4-6-19(18)30-21/h3-8,11-13,21H,9-10,14H2,1-2H3,(H,23,24)(H,25,27)

Composition: C (64.69%), H (5.92%), N (13.72%), O (15.67%)

Molar Mass: 408.458

Atom Count: 54

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	408.179755269
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	OQWZIAVXCYIZNN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.43
Topological Polar Surface Area	88.71
Polarizability	44.59
Ring Count	4
Rotatable Bond Count	7

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