Chemical ID: 5804439

COc1ccc(cc1)c2csc(=Nc3ccccc3)n2CCO
Chemical ID:
5804439
Name [?]:
2-[4-(4-methoxyphenyl)-2-phenylimino-thiazol-3-yl]ethanol
SMILES [?]:
COc1ccc(cc1)c2csc(=Nc3ccccc3)n2CCO
InChi [?]:
InChI=1/C18H18N2O2S/c1-22-16-9-7-14(8-10-16)17-13-23-18(20(17)11-12-21)19-15-5-3-2-4-6-15/h2-10,13,21H,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,5,7,4,8,21,22,10,6,14,3,9,12,13,20,23,2,11/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCOCCCCCCCCSCNCCCCCCNCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;w12;s13;s14;d15;s16;d17;d14s18;s9s12;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.20195
Area:522.717
Solvation:-3.86599
Coulombic:-39.1699
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:326.414
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.96
LogP (Chemaxon):4.43

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Descriptor Annotations

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