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Chemical ID: 6290128
Chemical ID:
6290128
Name [?]:
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxy-4-methyl-phenyl)-1-(3-pyridylmethyl)thiourea
SMILES [?]:
Cc1ccc(c(c1)OC)NC(=S)N(Cc2ccc(c(c2)OC)OC)Cc3cccnc3
InChi [?]:
InChI=1/C24H27N3O3S/c1-17-7-9-20(22(12-17)29-3)26-24(31)27(16-19-6-5-11-25-14-19)15-18-8-10-21(28-2)23(13-18)30-4/h5-14H,15-16H2,1-4H3,(H,26,31)
InChi Info:
AuxInfo=1/1/N:1,24,9,22,28,27,3,16,4,17,29,7,20,31,14,25,2,15,26,5,18,6,19,11,30,10,13,23,8,21,12/rA:31nCCCCCCCOCNCSNCCCCCCCOCOCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s13;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27N3O3S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38364 |
Area: | 662.586 |
Solvation: | -7.181 |
Coulombic: | -46.3563 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 437.556 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.34 |
LogP (Chemaxon): | 4.28 |
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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