Chemical ID: 6316275

Cc1ccc(cc1)CN(CCCn2ccnc2)C(=S)NC(C)c3ccccc3
Chemical ID:
6316275
Name [?]:
1-(3-imidazol-1-ylpropyl)-3-(1-phenylethyl)-1-(p-tolylmethyl)thiourea
SMILES [?]:
Cc1ccc(cc1)CN(CCCn2ccnc2)C(=S)NC(C)c3ccccc3
InChi [?]:
InChI=1/C23H28N4S/c1-19-9-11-21(12-10-19)17-27(15-6-14-26-16-13-24-18-26)23(28)25-20(2)22-7-4-3-5-8-22/h3-5,7-13,16,18,20H,6,14-15,17H2,1-2H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,22,26,25,27,11,24,28,3,7,4,6,15,12,10,14,8,17,2,21,5,23,18,16,20,13,9,19/E:(4,5)(7,8)(9,10)(11,12)/rA:28cCCCCCCCCNCCCNCCNCCSNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s13;d14;s15;s13d16;s9;d18;s18;s20;s21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28N4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:13.3206
Area:649.167
Solvation:-2.90861
Coulombic:-32.9532
Bond Count [?]
All:30
Single:21
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:392.561
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.48
LogP (Chemaxon):4.48

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Descriptor Annotations

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