Chemical ID: 4712503

CC(=NNc1nc(cs1)c2ccc(cc2)Cl)c3ccc(cc3)OC
Chemical ID:
4712503
Name [?]:
4-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethylideneamino]thiazol-2-amine
SMILES [?]:
CC(=NNc1nc(cs1)c2ccc(cc2)Cl)c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H16ClN3OS/c1-12(13-5-9-16(23-2)10-6-13)21-22-18-20-17(11-24-18)14-3-7-15(19)8-4-14/h3-11H,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,11,15,18,22,12,14,19,21,8,2,17,10,13,20,7,5,16,6,3,4,23,9/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCNNCNCCSCCCCCCClCCCCCCOC/rB:s1;w2;s3;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s13;s2;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClN3OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.2261
Area:587.777
Solvation:-3.46836
Coulombic:-25.5353
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:357.858
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.86
LogP (Chemaxon):5.05

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Descriptor Annotations

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