Chemical ID: 4331875

CCN(CC)c1ccc(cc1)Nc2nc(cs2)c3ccc(c(c3)OC)OC
Chemical ID:
4331875
Name [?]:
N'-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-N,N-diethyl-benzene-1,4-diamine
SMILES [?]:
CCN(CC)c1ccc(cc1)Nc2nc(cs2)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C21H25N3O2S/c1-5-24(6-2)17-10-8-16(9-11-17)22-21-23-18(14-27-21)15-7-12-19(25-3)20(13-15)26-4/h7-14H,5-6H2,1-4H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,27,25,2,4,19,8,10,7,11,20,23,16,18,9,6,15,21,22,13,12,14,3,26,24,17/E:(1,2)(5,6)(8,9)(10,11)/rA:27nCCNCCCCCCCCNCNCCSCCCCCCOCOC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.0413
Area:615.587
Solvation:-5.34837
Coulombic:-38.5112
Bond Count [?]
All:29
Single:21
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:383.508
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.69
LogP (Chemaxon):5.09

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Descriptor Annotations

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