Chemical ID: 6311951

CCc1ccc(cc1)CN(CCCN2CCOCC2)C(=S)Nc3c(cccc3Cl)C
Chemical ID:
6311951
Name [?]:
3-(2-chloro-6-methyl-phenyl)-1-[(4-ethylphenyl)methyl]-1-(3-morpholinopropyl)thiourea
SMILES [?]:
CCc1ccc(cc1)CN(CCCN2CCOCC2)C(=S)Nc3c(cccc3Cl)C
InChi [?]:
InChI=1/C24H32ClN3OS/c1-3-20-8-10-21(11-9-20)18-28(13-5-12-27-14-16-29-17-15-27)24(30)26-23-19(2)6-4-7-22(23)25/h4,6-11H,3,5,12-18H2,1-2H3,(H,26,30)
InChi Info:
AuxInfo=1/1/N:1,30,2,26,12,25,27,4,8,5,7,13,11,15,19,16,18,9,24,3,6,28,23,20,29,22,14,10,17,21/E:(8,9)(10,11)(14,15)(16,17)/rA:30nCCCCCCCCCNCCCNCCOCCCSNCCCCCCClC/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;s28;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32ClN3OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.7129
Area:679.05
Solvation:-3.26334
Coulombic:-35.7463
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):4.34

Name Annotations

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Descriptor Annotations

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