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Chemical ID: 4602316
Chemical ID:
4602316
Name [?]:
N-(6-methoxybenzothiazol-2-yl)naphthalene-1-carboxamide
SMILES [?]:
COc1ccc2c(c1)sc(n2)NC(=O)c3cccc4c3cccc4
InChi [?]:
InChI=1/C19H14N2O2S/c1-23-13-9-10-16-17(11-13)24-19(20-16)21-18(22)15-8-4-6-12-5-2-3-7-14(12)15/h2-11H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,22,17,24,18,21,16,4,5,8,19,3,20,15,6,7,13,10,11,12,14,2,9/rA:24nCOCCCCCCSCNNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6d10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.52426 |
Area: | 527.705 |
Solvation: | -3.66837 |
Coulombic: | -36.0831 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 334.393 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.08 |
LogP (Chemaxon): | 4.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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