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Chemical ID: 4195039
Chemical ID:
4195039
Name [?]:
N,N-diethyl-N'-[4-(4-methoxyphenyl)thiazol-2-yl]-benzene-1,4-diamine
SMILES [?]:
CCN(CC)c1ccc(cc1)Nc2nc(cs2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C20H23N3OS/c1-4-23(5-2)17-10-8-16(9-11-17)21-20-22-19(14-25-20)15-6-12-18(24-3)13-7-15/h6-14H,4-5H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,25,2,4,19,23,8,10,7,11,20,22,16,18,9,6,21,15,13,12,14,3,24,17/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:25nCCNCCCCCCCCNCNCCSCCCCCCOC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.316 |
Area: | 581.245 |
Solvation: | -3.21516 |
Coulombic: | -32.4093 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 353.482 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.04 |
LogP (Chemaxon): | 5.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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