Chemical ID: 6284214

CCn1c2ccccc2sc1=NC(=O)c3ccccc3OC
Chemical ID:
6284214
Name [?]:
N-(3-ethylbenzothiazol-2-ylidene)-2-methoxy-benzamide
SMILES [?]:
CCn1c2ccccc2sc1=NC(=O)c3ccccc3OC
InChi [?]:
InChI=1/C17H16N2O2S/c1-3-19-13-9-5-7-11-15(13)22-17(19)18-16(20)12-8-4-6-10-14(12)21-2/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,17,6,18,7,16,5,19,8,15,4,20,9,13,11,12,3,14,21,10/rA:22nCCNCCCCCCSCNCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.68066
Area:476.571
Solvation:-3.23362
Coulombic:-32.3395
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:312.387
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.18
LogP (Chemaxon):4.71

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