Chemical ID: 4621333

CCCOc1ccc(cc1)C=C2C(=O)N=C(S2)N3CCOCC3
Chemical ID:
4621333
Name [?]:
2-morpholino-5-[(4-propoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
CCCOc1ccc(cc1)C=C2C(=O)N=C(S2)N3CCOCC3
InChi [?]:
InChI=1/C17H20N2O3S/c1-2-9-22-14-5-3-13(4-6-14)12-15-16(20)18-17(23-15)19-7-10-21-11-8-19/h3-6,12H,2,7-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,9,6,10,19,23,3,20,22,11,8,5,12,13,16,15,18,14,21,4,17/E:(3,4)(5,6)(7,8)(10,11)/rA:23nCCCOCCCCCCCCCONCSNCCOCC/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:C17H20N2O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.17619
Area:539.529
Solvation:-4.31203
Coulombic:-40.2187
Bond Count [?]
All:25
Single:19
Double:6
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:332.418
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.65
LogP (Chemaxon):2.96

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Descriptor Annotations

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