Chemical ID: 4751205

CN1CCN(CC1)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(F)(F)F
Chemical ID:
4751205
Name [?]:
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]-urea
SMILES [?]:
CN1CCN(CC1)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C19H21F3N4O/c1-25-10-12-26(13-11-25)17-8-6-16(7-9-17)24-18(27)23-15-4-2-14(3-5-15)19(20,21)22/h2-9H,10-13H2,1H3,(H2,23,24,27)
InChi Info:
AuxInfo=1/1/N:1,20,22,19,23,10,12,9,13,3,7,4,6,21,18,11,8,15,24,25,26,27,17,14,2,5,16/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(20,21,22)/rA:27nCNCCNCCCCCCCCNCONCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21F3N4O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.5181
Area:565.762
Solvation:-3.62598
Coulombic:-64.0489
Bond Count [?]
All:29
Single:22
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:378.392
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.26
LogP (Chemaxon):4.45

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Descriptor Annotations

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