Chemical ID: 4384691

CCCOc1ccc(cc1)C=C2C(=O)N=C(S2)N3CCCCC3
Chemical ID:
4384691
Name [?]:
2-(1-piperidyl)-5-[(4-propoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
CCCOc1ccc(cc1)C=C2C(=O)N=C(S2)N3CCCCC3
InChi [?]:
InChI=1/C18H22N2O2S/c1-2-12-22-15-8-6-14(7-9-15)13-16-17(21)19-18(23-16)20-10-4-3-5-11-20/h6-9,13H,2-5,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,20,22,7,9,6,10,19,23,3,11,8,5,12,13,16,15,18,14,4,17/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCOCCCCCCCCCONCSNCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22N2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.7831
Area:544.993
Solvation:-2.84174
Coulombic:-32.8942
Bond Count [?]
All:25
Single:19
Double:6
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:330.446
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.91
LogP (Chemaxon):4.02

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Descriptor Annotations

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