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Chemical ID: 6290506
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
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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