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Chemical ID: 7528945
Chemical ID:
7528945
Name [?]:
N-(6-chlorobenzothiazol-2-yl)-2-propoxy-benzamide
SMILES [?]:
CCCOc1ccccc1C(=O)Nc2nc3ccc(cc3s2)Cl
InChi [?]:
InChI=1/C17H15ClN2O2S/c1-2-9-22-14-6-4-3-5-12(14)16(21)20-17-19-13-8-7-11(18)10-15(13)23-17/h3-8,10H,2,9H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,9,6,18,17,3,20,19,10,16,5,21,11,14,23,15,13,12,4,22/rA:23nCCCOCCCCCCCONCNCCCCCCSCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;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: | None |
ZAP Information [?]
Total: | 9.50159 |
Area: | 556.584 |
Solvation: | -4.41302 |
Coulombic: | -34.8214 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.22 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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