Chemical ID: 6407054

CCOc1ccccc1CN(Cc2ccccc2)C(=S)Nc3cccc(c3)Cl
Chemical ID:
6407054
Name [?]:
1-benzyl-3-(3-chlorophenyl)-1-[(2-ethoxyphenyl)methyl]thiourea
SMILES [?]:
CCOc1ccccc1CN(Cc2ccccc2)C(=S)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C23H23ClN2OS/c1-2-27-22-14-7-6-11-19(22)17-26(16-18-9-4-3-5-10-18)23(28)25-21-13-8-12-20(24)15-21/h3-15H,2,16-17H2,1H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,7,6,24,14,18,8,25,23,5,27,12,10,13,9,26,22,4,19,28,21,11,3,20/E:(4,5)(9,10)/rA:28nCCOCCCCCCCNCCCCCCCCSNCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s11;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23ClN2OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.8554
Area:617.538
Solvation:-2.58304
Coulombic:-31.4583
Bond Count [?]
All:30
Single:20
Double:10
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:410.96
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.63
LogP (Chemaxon):6.49

Name Annotations

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Descriptor Annotations

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