Chemical ID: 6290363

Cc1ccc(c(c1)OC)NC(=S)N(Cc2ccc(cc2)OC)Cc3ccccc3C
Chemical ID:
6290363
Name [?]:
3-(2-methoxy-4-methyl-phenyl)-1-[(4-methoxyphenyl)methyl]-1-(o-tolylmethyl)thiourea
SMILES [?]:
Cc1ccc(c(c1)OC)NC(=S)N(Cc2ccc(cc2)OC)Cc3ccccc3C
InChi [?]:
InChI=1/C25H28N2O2S/c1-18-9-14-23(24(15-18)29-4)26-25(30)27(17-21-8-6-5-7-19(21)2)16-20-10-12-22(28-3)13-11-20/h5-15H,16-17H2,1-4H3,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,30,22,9,27,26,28,25,3,16,20,17,19,4,7,14,23,2,29,15,24,18,5,6,11,10,13,21,8,12/E:(10,11)(12,13)/rA:30nCCCCCCCOCNCSNCCCCCCCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;s21;s13;s23;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28N2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.9081
Area:653.318
Solvation:-4.42491
Coulombic:-37.2432
Bond Count [?]
All:32
Single:22
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:420.568
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.38
LogP (Chemaxon):6.31

Name Annotations

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Descriptor Annotations

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