Chemical ID: 6317389

Cc1ccc(cc1)CN(CCCN2CCOCC2)C(=S)Nc3cccc(c3C)C(C)C
Chemical ID:
6317389
Name [?]:
3-(3-isopropyl-2-methyl-phenyl)-1-(3-morpholinopropyl)-1-(p-tolylmethyl)thiourea
SMILES [?]:
Cc1ccc(cc1)CN(CCCN2CCOCC2)C(=S)Nc3cccc(c3C)C(C)C
InChi [?]:
InChI=1/C26H37N3OS/c1-20(2)24-7-5-8-25(22(24)4)27-26(31)29(19-23-11-9-21(3)10-12-23)14-6-13-28-15-17-30-18-16-28/h5,7-12,20H,6,13-19H2,1-4H3,(H,27,31)
InChi Info:
AuxInfo=1/1/N:30,31,1,28,24,11,25,23,3,7,4,6,12,10,14,18,15,17,8,29,2,27,5,26,22,19,21,13,9,16,20/E:(1,2)(9,10)(11,12)(15,16)(17,18)/rA:31nCCCCCCCCNCCCNCCOCCCSNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s9;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s26;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H37N3OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:14.1958
Area:702.543
Solvation:-3.36782
Coulombic:-35.2226
Bond Count [?]
All:33
Single:26
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:439.658
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.84
LogP (Chemaxon):5.27

Name Annotations

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Descriptor Annotations

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