1,3-dimethyl-5-({6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}methylidene)-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-({6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}methylidene)-1,3-diazinane-2,4,6-trione

CAS: 866142-64-5

Formula: C19H14F3N3O4

SMILES: CN1C(=O)N(C)C(=O)C(=CC2=CN=C(OC3=CC=CC(=C3)C(F)(F)F)C=C2)C1=O

IUPAC: 1,3-dimethyl-5-({6-[3-(trifluoromethyl)phenoxy]pyridin-3-yl}methylidene)-1,3-diazinane-2,4,6-trione

InChI: InChI=1S/C19H14F3N3O4/c1-24-16(26)14(17(27)25(2)18(24)28)8-11-6-7-15(23-10-11)29-13-5-3-4-12(9-13)19(20,21)22/h3-10H,1-2H3

Composition: C (56.30%), H (3.48%), F (14.06%), N (10.37%), O (15.79%)

Molar Mass: 405.333

Atom Count: 43

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	405.093640432
Formal Charge	0
FSP3	0.16
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	DMYVYRYMZNRSFG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	96.29
Topological Polar Surface Area	79.81
Polarizability	35.41
Ring Count	3
Rotatable Bond Count	4

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