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Chemical ID: 6290505
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
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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