Chemical ID: 7010416

CCN(CC)c1ccc(cc1)C=C2C(=O)N(C(=Nc3cccc(c3)O)S2)CC=C
Chemical ID:
7010416
Name [?]:
3-allyl-5-[(4-diethylaminophenyl)methylene]-2-(3-hydroxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCN(CC)c1ccc(cc1)C=C2C(=O)N(C(=Nc3cccc(c3)O)S2)CC=C
InChi [?]:
InChI=1/C23H25N3O2S/c1-4-14-26-22(28)21(29-23(26)24-18-8-7-9-20(27)16-18)15-17-10-12-19(13-11-17)25(5-2)6-3/h4,7-13,15-16,27H,1,5-6,14H2,2-3H3
InChi Info:
AuxInfo=1/0/N:29,1,5,28,2,4,21,20,22,8,10,7,11,27,12,24,9,19,6,23,13,14,17,18,3,16,25,15,26/E:(2,3)(5,6)(10,11)(12,13)/rA:29nCCNCCCCCCCCCCCONCNCCCCCCOSCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;w12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s23;s13s17;s16;s27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O2S
All Atoms:54
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.371
Area:625.688
Solvation:-3.27122
Coulombic:-48.9162
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:407.53
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.5
LogP (Chemaxon):6.0

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