Chemical ID: 6273489

CCOCCn1c2ccc(cc2sc1=NC(=O)C=Cc3ccccc3)OCC
Chemical ID:
6273489
Name [?]:
N-[6-ethoxy-3-(2-ethoxyethyl)benzothiazol-2-ylidene]-3-phenyl-prop-2-enamide
SMILES [?]:
CCOCCn1c2ccc(cc2sc1=NC(=O)C=Cc3ccccc3)OCC
InChi [?]:
InChI=1/C22H24N2O3S/c1-3-26-15-14-24-19-12-11-18(27-4-2)16-20(19)28-22(24)23-21(25)13-10-17-8-6-5-7-9-17/h5-13,16H,3-4,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,27,23,22,24,21,25,19,9,8,18,5,4,11,20,10,7,12,16,14,15,6,17,3,26,13/E:(6,7)(8,9)/rA:28nCCOCCNCCCCCCSCNCOCCCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;w14;s15;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;s10;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.3771
Area:602.375
Solvation:-4.68224
Coulombic:-40.2391
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:396.504
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.69
LogP (Chemaxon):5.48

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Descriptor Annotations

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