11-(3,4-dichlorophenyl)-4-methyl-6-(trifluoromethyl)-3,7,8,10-tetraazatricyclo[7.4.0.0²,?]trideca-1,3,5,8,10,12-hexaene

11-(3,4-dichlorophenyl)-4-methyl-6-(trifluoromethyl)-3,7,8,10-tetraazatricyclo[7.4.0.0²,?]trideca-1,3,5,8,10,12-hexaene

CAS: 685107-32-8

Formula: C17H9Cl2F3N4

SMILES: CC1=NC2=C3C=CC(=NC3=NN2C(=C1)C(F)(F)F)C1=CC(Cl)=C(Cl)C=C1

IUPAC: 11-(3,4-dichlorophenyl)-4-methyl-6-(trifluoromethyl)-3,7,8,10-tetraazatricyclo[7.4.0.0²,?]trideca-1,3,5,8,10,12-hexaene

InChI: InChI=1S/C17H9Cl2F3N4/c1-8-6-14(17(20,21)22)26-16(23-8)10-3-5-13(24-15(10)25-26)9-2-4-11(18)12(19)7-9/h2-7H,1H3

Composition: C (51.41%), H (2.28%), Cl (17.85%), F (14.35%), N (14.11%)

Molar Mass: 397.18

Atom Count: 35

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	396.0156362
Formal Charge	0
FSP3	0.12
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LMOYENTWVVDNSQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	104.08
Topological Polar Surface Area	43.08
Polarizability	35.89
Ring Count	4
Rotatable Bond Count	2

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