Chemical ID: 6273457

CCOCCn1c2ccc(cc2sc1=NC(=O)c3cc4ccccc4cc3OC)OC
Chemical ID:
6273457
Name [?]:
N-[3-(2-ethoxyethyl)-6-methoxy-benzothiazol-2-ylidene]-3-methoxy-naphthalene-2-carboxamide
SMILES [?]:
CCOCCn1c2ccc(cc2sc1=NC(=O)c3cc4ccccc4cc3OC)OC
InChi [?]:
InChI=1/C24H24N2O4S/c1-4-30-12-11-26-20-10-9-18(28-2)15-22(20)31-24(26)25-23(27)19-13-16-7-5-6-8-17(16)14-21(19)29-3/h5-10,13-15H,4,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,29,2,22,23,21,24,9,8,5,4,19,26,11,20,25,10,18,7,27,12,16,14,15,6,17,30,28,3,13/rA:31nCCOCCNCCCCCCSCNCOCCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;w14;s15;d16;s16;s18;d19;s20;d21;s22;d23;s20s24;d25;d18s26;s27;s28;s10;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24N2O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.60562
Area:624.3
Solvation:-6.00189
Coulombic:-46.3265
Bond Count [?]
All:34
Single:24
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:436.524
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.18
LogP (Chemaxon):5.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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