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Chemical ID: 6175578
Chemical ID:
6175578
Name [?]:
3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-(p-tolylmethyl)thiourea
SMILES [?]:
Cc1ccc(cc1)CN(Cc2ccc(cc2)OC)C(=S)Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C24H26N2O2S/c1-18-4-6-19(7-5-18)16-26(17-20-8-12-22(27-2)13-9-20)24(29)25-21-10-14-23(28-3)15-11-21/h4-15H,16-17H2,1-3H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,18,29,3,7,4,6,12,16,23,27,13,15,24,26,8,10,2,5,11,22,14,25,19,21,9,17,28,20/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:29nCCCCCCCCNCCCCCCCOCCSNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s17;s9;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26N2O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3802 |
Area: | 634.2 |
Solvation: | -4.47479 |
Coulombic: | -36.4708 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 406.542 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.94 |
LogP (Chemaxon): | 5.84 |
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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