Chemical ID: 6829721

Cc1cc(cc(c1)NC(=S)N(Cc2ccccc2)Cc3cccnc3)C
Chemical ID:
6829721
Name [?]:
1-benzyl-3-(3,5-dimethylphenyl)-1-(3-pyridylmethyl)thiourea
SMILES [?]:
Cc1cc(cc(c1)NC(=S)N(Cc2ccccc2)Cc3cccnc3)C
InChi [?]:
InChI=1/C22H23N3S/c1-17-11-18(2)13-21(12-17)24-22(26)25(15-19-7-4-3-5-8-19)16-20-9-6-10-23-14-20/h3-14H,15-16H2,1-2H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,26,16,15,17,22,14,18,21,23,3,7,5,25,12,19,2,4,13,20,6,9,24,8,11,10/E:(1,2)(4,5)(7,8)(12,13)(17,18)/rA:26nCCCCCCCNCSNCCCCCCCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;s20;d21;s22;d23;d20s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3S
All Atoms:49
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.0557
Area:581.516
Solvation:-2.48217
Coulombic:-26.7036
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:361.504
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.3
LogP (Chemaxon):5.5

Name Annotations

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Descriptor Annotations

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