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Chemical ID: 6284214
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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