Chemical ID: 7195403

Cc1c2c(cc(nc2n(n1)C)c3ccc(c(c3)Cl)Cl)C(F)F
Chemical ID:
7195403
Name [?]:
4-(3,4-dichlorophenyl)-2-(difluoromethyl)-7,9-dimethyl-5,7,8-triazabicyclo[4.3.0]nona-2,4,8,10-tetraene
SMILES [?]:
Cc1c2c(cc(nc2n(n1)C)c3ccc(c(c3)Cl)Cl)C(F)F
InChi [?]:
InChI=1/C15H11Cl2F2N3/c1-7-13-9(14(18)19)6-12(20-15(13)22(2)21-7)8-3-4-10(16)11(17)5-8/h3-6,14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,13,14,17,5,2,12,4,15,16,6,3,20,8,19,18,21,22,7,10,9/E:(18,19)/rA:22nCCCCCCNCNNCCCCCCCClClCFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s9;s6;s12;d13;s14;d15;d12s16;s16;s15;s4;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11Cl2F2N3
All Atoms:33
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.81142
Area:499.616
Solvation:-3.67898
Coulombic:-20.0133
Bond Count [?]
All:24
Single:17
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:342.17
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.45
LogP (Chemaxon):4.29

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