Chemical ID: 6290368

Cc1ccc(c(c1)OC)NC(=S)N(Cc2ccc(cc2)OC)Cc3ccc(cc3)Br
Chemical ID:
6290368
Name [?]:
1-[(4-bromophenyl)methyl]-3-(2-methoxy-4-methyl-phenyl)-1-[(4-methoxyphenyl)methyl]thiourea
SMILES [?]:
Cc1ccc(c(c1)OC)NC(=S)N(Cc2ccc(cc2)OC)Cc3ccc(cc3)Br
InChi [?]:
InChI=1/C24H25BrN2O2S/c1-17-4-13-22(23(14-17)29-3)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:1,22,9,3,25,29,16,20,26,28,17,19,4,7,23,14,2,24,15,27,18,5,6,11,30,10,13,21,8,12/E:(5,6)(7,8)(9,10)(11,12)/rA:30nCCCCCCCOCNCSNCCCCCCCOCCCCCCCCBr/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;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25BrN2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.1011
Area:661.954
Solvation:-4.44777
Coulombic:-37.1262
Bond Count [?]
All:32
Single:22
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:485.438
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.74
LogP (Chemaxon):6.63

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Descriptor Annotations

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