Chemical ID: 7027121

CC(C)c1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)OC
Chemical ID:
7027121
Name [?]:
N-[(4-isopropylphenyl)methyleneamino]-4-(4-methoxyphenyl)-thiazol-2-amine
SMILES [?]:
CC(C)c1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C20H21N3OS/c1-14(2)16-6-4-15(5-7-16)12-21-23-20-22-19(13-25-20)17-8-10-18(24-3)11-9-17/h4-14H,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,25,6,8,5,9,19,23,20,22,10,16,2,7,4,18,21,15,13,11,14,12,24,17/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCCCCCCCNNCNCCSCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3OS
All Atoms:46
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.4076
Area:598.654
Solvation:-3.55876
Coulombic:-25.8477
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:351.466
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.5
LogP (Chemaxon):6.09

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Descriptor Annotations

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