Chemical ID: 6946995

CCOc1ccc(cc1Cl)C(=O)Nc2nc3ccc(cc3s2)C
Chemical ID:
6946995
Name [?]:
3-chloro-4-ethoxy-N-(6-methylbenzothiazol-2-yl)-benzamide
SMILES [?]:
CCOc1ccc(cc1Cl)C(=O)Nc2nc3ccc(cc3s2)C
InChi [?]:
InChI=1/C17H15ClN2O2S/c1-3-22-14-7-5-11(9-12(14)18)16(21)20-17-19-13-6-4-10(2)8-15(13)23-17/h4-9H,3H2,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,2,18,6,17,5,20,8,19,7,9,16,4,21,11,14,10,15,13,12,3,22/rA:23nCCOCCCCCCClCONCNCCCCCCSC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;d14;s15;s16;d17;s18;d19;d16s20;s14s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15ClN2O2S
All Atoms:38
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.1734
Area:554.884
Solvation:-3.69869
Coulombic:-35.3418
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:346.832
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.3
LogP (Chemaxon):5.21

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Descriptor Annotations

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