Chemical ID: 6803434

Cc1cccc(c1)NC(=S)N(Cc2ccc(cc2)F)C3CCCCC3
Chemical ID:
6803434
Name [?]:
1-cyclohexyl-1-[(4-fluorophenyl)methyl]-3-(m-tolyl)thiourea
SMILES [?]:
Cc1cccc(c1)NC(=S)N(Cc2ccc(cc2)F)C3CCCCC3
InChi [?]:
InChI=1/C21H25FN2S/c1-16-6-5-7-19(14-16)23-21(25)24(20-8-3-2-4-9-20)15-17-10-12-18(22)13-11-17/h5-7,10-14,20H,2-4,8-9,15H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,4,3,5,21,25,14,18,15,17,7,12,2,13,16,6,20,9,19,8,11,10/E:(3,4)(8,9)(10,11)(12,13)/rA:25nCCCCCCCNCSNCCCCCCCFCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s11;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25FN2S
All Atoms:50
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.5457
Area:544.827
Solvation:-2.075
Coulombic:-26.4694
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:356.501
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.39
LogP (Chemaxon):6.3

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Descriptor Annotations

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