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Chemical ID: 7155845
Chemical ID:
7155845
Name [?]:
N-(4-methylthiazol-2-yl)acenaphthene-5-carboxamide
SMILES [?]:
Cc1csc(n1)NC(=O)c2ccc3c4c2cccc4CC3
InChi [?]:
InChI=1/C17H14N2OS/c1-10-9-21-17(18-10)19-16(20)14-8-7-12-6-5-11-3-2-4-13(14)15(11)12/h2-4,7-9H,5-6H2,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,17,18,16,20,21,12,11,3,2,19,13,15,10,14,8,5,6,7,9,4/rA:21nCCCSCNNCOCCCCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d16;s17;s14d18;s19;s13s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2OS |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.46833 |
Area: | 464.823 |
Solvation: | -2.15223 |
Coulombic: | -27.9583 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 294.372 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.7 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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