Chemical ID: 7437655

COc1ccc(cc1)C=C2C(=O)N=C(S2)NC3CCCCC3
Chemical ID:
7437655
Name [?]:
2-cyclohexylamino-5-[(4-methoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
COc1ccc(cc1)C=C2C(=O)N=C(S2)NC3CCCCC3
InChi [?]:
InChI=1/C17H20N2O2S/c1-21-14-9-7-12(8-10-14)11-15-16(20)19-17(22-15)18-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,5,7,4,8,9,6,17,3,10,11,14,16,13,12,2,15/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCOCCCCCCCCCONCSNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;d13;s10s14;s14;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20N2O2S
All Atoms:42
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.087
Area:518.082
Solvation:-2.86504
Coulombic:-37.6521
Bond Count [?]
All:24
Single:18
Double:6
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:316.419
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.53
LogP (Chemaxon):3.71

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Descriptor Annotations

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