Chemical ID: 7441067

c1cc(ccc1C(=O)NN=Cc2ccc3c(c2)non3)C(F)(F)F
Chemical ID:
7441067
Name [?]:
N-(8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraen-4-ylmethyleneamino)-4-(trifluoromethyl)benzamide
SMILES [?]:
c1cc(ccc1C(=O)NN=Cc2ccc3c(c2)non3)C(F)(F)F
InChi [?]:
InChI=1/C15H9F3N4O2/c16-15(17,18)11-4-2-10(3-5-11)14(23)20-19-8-9-1-6-12-13(7-9)22-24-21-12/h1-8H,(H,20,23)
InChi Info:
AuxInfo=1/1/N:13,1,5,2,4,14,17,11,12,6,3,15,16,7,21,22,23,24,10,9,20,18,8,19/E:(2,3)(4,5)(16,17,18)/rA:24nCCCCCCCONNCCCCCCCNONCFFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;w10;s11;s12;d13;s14;s15;d12s16;d16;s18;d15s19;s3;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9F3N4O2
All Atoms:33
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.09579
Area:514.698
Solvation:-4.77167
Coulombic:-40.4379
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:334.253
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.67
LogP (Chemaxon):3.75

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