Chemical ID: 6290506

Cc1ccc(c(c1)NC(=S)N(Cc2ccc(cc2)OC)Cc3ccc(cc3)Cl)OC
Chemical ID:
6290506
Name [?]:
1-[(4-chlorophenyl)methyl]-3-(2-methoxy-5-methyl-phenyl)-1-[(4-methoxyphenyl)methyl]thiourea
SMILES [?]:
Cc1ccc(c(c1)NC(=S)N(Cc2ccc(cc2)OC)Cc3ccc(cc3)Cl)OC
InChi [?]:
InChI=1/C24H25ClN2O2S/c1-17-4-13-23(29-3)22(14-17)26-24(30)27(15-18-5-9-20(25)10-6-18)16-19-7-11-21(28-2)12-8-19/h4-14H,15-16H2,1-3H3,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,20,30,3,23,27,14,18,24,26,15,17,4,7,21,12,2,22,13,25,16,6,5,9,28,8,11,19,29,10/E:(5,6)(7,8)(9,10)(11,12)/rA:30nCCCCCCCNCSNCCCCCCCOCCCCCCCCClOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s11;s21;s22;d23;s24;d25;d22s26;s25;s5;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25ClN2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.2562
Area:669.245
Solvation:-4.47491
Coulombic:-37.4332
Bond Count [?]
All:32
Single:22
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:440.986
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.56
LogP (Chemaxon):6.36

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue