1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrrolidine-2,5-dione

1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrrolidine-2,5-dione

CAS: 338422-45-0

Formula: C19H14ClF6N3O2S

SMILES: FC(F)(F)C1=CC=CC(SC2CC(=O)N(CCNC3=C(Cl)C=C(C=N3)C(F)(F)F)C2=O)=C1

IUPAC: 1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrrolidine-2,5-dione

InChI: InChI=1/C19H14ClF6N3O2S/c20-13-7-11(19(24,25)26)9-28-16(13)27-4-5-29-15(30)8-14(17(29)31)32-12-3-1-2-10(6-12)18(21,22)23/h1-3,6-7,9,14H,4-5,8H2,(H,27,28)

Composition: C (45.84%), H (2.83%), Cl (7.12%), F (22.90%), N (8.44%), O (6.43%), S (6.44%)

Molar Mass: 497.84

Atom Count: 46

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	497.0399446
Formal Charge	0
FSP3	0.32
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HGXPSVMMYZVTLG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.41
Topological Polar Surface Area	62.3
Polarizability	39.35
Ring Count	3
Rotatable Bond Count	8

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