Chemical ID: 6275989

C#CCn1c2ccc(cc2sc1=NC(=O)c3cccc4c3cccc4)Cl
Chemical ID:
6275989
Name [?]:
N-(6-chloro-3-prop-2-ynyl-benzothiazol-2-ylidene)naphthalene-1-carboxamide
SMILES [?]:
C#CCn1c2ccc(cc2sc1=NC(=O)c3cccc4c3cccc4)Cl
InChi [?]:
InChI=1/C21H13ClN2OS/c1-2-12-24-18-11-10-15(22)13-19(18)26-21(24)23-20(25)17-9-5-7-14-6-3-4-8-16(14)17/h1,3-11,13H,12H2
InChi Info:
AuxInfo=1/0/N:1,2,24,23,18,25,19,22,17,7,6,3,9,20,8,21,16,5,10,14,12,26,13,4,15,11/rA:26nCCCNCCCCCCSCNCOCCCCCCCCCCCl/rB:t1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H13ClN2OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.5205
Area:546.125
Solvation:-2.13266
Coulombic:-29.0663
Bond Count [?]
All:29
Single:18
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:376.859
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.0
LogP (Chemaxon):6.42

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Descriptor Annotations

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