Chemical ID: 4721827

COc1ccc(cc1)C(=O)N2CCC(=O)Nc3c2ccc(c3)C(F)(F)F
Chemical ID:
4721827
Name [?]:
6-(4-methoxybenzoyl)-10-(trifluoromethyl)-2,6-diazabicyclo[5.4.0]undeca-7,9,11-trien-3-one
SMILES [?]:
COc1ccc(cc1)C(=O)N2CCC(=O)Nc3c2ccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C18H15F3N2O3/c1-26-13-5-2-11(3-6-13)17(25)23-9-8-16(24)22-14-10-12(18(19,20)21)4-7-15(14)23/h2-7,10H,8-9H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,5,7,20,4,8,19,13,12,22,6,21,3,17,18,14,9,23,24,25,26,16,11,15,10,2/E:(2,3)(5,6)(19,20,21)/rA:26nCOCCCCCCCONCCCONCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;d14;s14;s16;s11s17;d18;s19;d20;d17s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15F3N2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.36263
Area:503.865
Solvation:-5.234
Coulombic:-61.7267
Bond Count [?]
All:28
Single:20
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:364.319
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.85
LogP (Chemaxon):2.72

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Descriptor Annotations

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