Chemical ID: 6290505

Cc1ccc(c(c1)NC(=S)N(Cc2ccc(cc2)OC)Cc3ccc(cc3Cl)Cl)OC
Chemical ID:
6290505
Name [?]:
1-[(2,4-dichlorophenyl)methyl]-3-(2-methoxy-5-methyl-phenyl)-1-[(4-methoxyphenyl)methyl]thiourea
SMILES [?]:
Cc1ccc(c(c1)NC(=S)N(Cc2ccc(cc2)OC)Cc3ccc(cc3Cl)Cl)OC
InChi [?]:
InChI=1/C24H24Cl2N2O2S/c1-16-4-11-23(30-3)22(12-16)27-24(31)28(14-17-5-9-20(29-2)10-6-17)15-18-7-8-19(25)13-21(18)26/h4-13H,14-15H2,1-3H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:1,20,31,3,14,18,23,24,15,17,4,7,26,12,21,2,13,22,25,16,27,6,5,9,29,28,8,11,19,30,10/E:(5,6)(9,10)/rA:31nCCCCCCCNCSNCCCCCCCOCCCCCCCCClClOC/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;s27;s25;s5;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24Cl2N2O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.186
Area:699.566
Solvation:-4.30318
Coulombic:-37.7081
Bond Count [?]
All:33
Single:23
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:475.431
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.18
LogP (Chemaxon):6.88

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