Chemical ID: 6803443

c1ccc(c(c1)NC(=S)N(Cc2ccc(cc2)F)C3CCCCC3)F
Chemical ID:
6803443
Name [?]:
1-cyclohexyl-3-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]thiourea
SMILES [?]:
c1ccc(c(c1)NC(=S)N(Cc2ccc(cc2)F)C3CCCCC3)F
InChi [?]:
InChI=1/C20H22F2N2S/c21-16-12-10-15(11-13-16)14-24(17-6-2-1-3-7-17)20(25)23-19-9-5-4-8-18(19)22/h4-5,8-13,17H,1-3,6-7,14H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:22,21,23,2,1,20,24,3,6,13,17,14,16,11,12,15,19,4,5,8,18,25,7,10,9/E:(2,3)(6,7)(10,11)(12,13)/rA:25nCCCCCCNCSNCCCCCCCFCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s10;s19;s20;s21;s22;s19s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22F2N2S
All Atoms:47
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.3074
Area:523.19
Solvation:-2.77233
Coulombic:-30.5899
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:360.465
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.11
LogP (Chemaxon):5.32

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Descriptor Annotations

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