Chemical ID: 7221946

COc1ccc(c(c1OC)OC)C=C2C(=O)N(C(=Nc3ccccc3)S2)c4ccccc4
Chemical ID:
7221946
Name [?]:
3-phenyl-2-phenylimino-5-[(2,3,4-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1OC)OC)C=C2C(=O)N(C(=Nc3ccccc3)S2)c4ccccc4
InChi [?]:
InChI=1/C25H22N2O4S/c1-29-20-15-14-17(22(30-2)23(20)31-3)16-21-24(28)27(19-12-8-5-9-13-19)25(32-21)26-18-10-6-4-7-11-18/h4-16H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,10,23,30,22,24,29,31,21,25,28,32,5,4,13,6,20,27,3,14,7,8,15,18,19,17,16,2,11,9,26/E:(6,7)(8,9)(10,11)(12,13)/rA:32nCOCCCCCCOCOCCCCONCNCCCCCCSCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s6;w13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s14s18;s17;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22N2O4S
All Atoms:54
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.9656
Area:661.56
Solvation:-5.57345
Coulombic:-49.0097
Bond Count [?]
All:35
Single:23
Double:12
Rotors:6
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:446.519
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.14
LogP (Chemaxon):5.52

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Descriptor Annotations

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