Chemical ID: 6316455

CCc1ccc(cc1)CN(CCCN2CCOCC2)C(=S)Nc3ccc(c(c3)C)Cl
Chemical ID:
6316455
Name [?]:
3-(4-chloro-3-methyl-phenyl)-1-[(4-ethylphenyl)methyl]-1-(3-morpholinopropyl)thiourea
SMILES [?]:
CCc1ccc(cc1)CN(CCCN2CCOCC2)C(=S)Nc3ccc(c(c3)C)Cl
InChi [?]:
InChI=1/C24H32ClN3OS/c1-3-20-5-7-21(8-6-20)18-28(12-4-11-27-13-15-29-16-14-27)24(30)26-22-9-10-23(25)19(2)17-22/h5-10,17H,3-4,11-16,18H2,1-2H3,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,29,2,12,4,8,5,7,24,25,13,11,15,19,16,18,28,9,27,3,6,23,26,20,30,22,14,10,17,21/E:(5,6)(7,8)(13,14)(15,16)/rA:30nCCCCCCCCCNCCCNCCOCCCSNCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s10;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32ClN3OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:14.1058
Area:698.637
Solvation:-3.36009
Coulombic:-35.2834
Bond Count [?]
All:32
Single:25
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:446.049
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.52
LogP (Chemaxon):5.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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