Chemical ID: 6316255

c1ccc(cc1)CN(CCCN2CCOCC2)C(=S)Nc3cc(ccc3Cl)Cl
Chemical ID:
6316255
Name [?]:
1-benzyl-3-(2,5-dichlorophenyl)-1-(3-morpholinopropyl)thiourea
SMILES [?]:
c1ccc(cc1)CN(CCCN2CCOCC2)C(=S)Nc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C21H25Cl2N3OS/c22-18-7-8-19(23)20(15-18)24-21(28)26(16-17-5-2-1-3-6-17)10-4-9-25-11-13-27-14-12-25/h1-3,5-8,15H,4,9-14,16H2,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,3,5,24,25,11,9,13,17,14,16,22,7,4,23,26,21,18,28,27,20,12,8,15,19/E:(2,3)(5,6)(11,12)(13,14)/rA:28nCCCCCCCNCCCNCCOCCCSNCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s8;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25Cl2N3OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.2265
Area:660.603
Solvation:-3.28857
Coulombic:-35.5965
Bond Count [?]
All:30
Single:23
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:438.414
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.02
LogP (Chemaxon):4.18

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Descriptor Annotations

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