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Chemical ID: 7722578
Chemical ID:
7722578
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)Cc2cnc(s2)NC(=O)c3cc4ccccc4o3
InChi [?]:
InChI=1/C20H16N2O2S/c1-13-5-4-6-14(9-13)10-16-12-21-20(25-16)22-19(23)18-11-15-7-2-3-8-17(15)24-18/h2-9,11-12H,10H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,21,22,4,3,5,20,23,7,8,18,10,2,6,19,9,24,17,15,12,11,14,16,25,13/rA:25nCCCCCCCCCCNCSNCOCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s15;d17;s18;s19;d20;s21;d22;d19s23;s17s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N2O2S |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.217 |
Area: | 565.81 |
Solvation: | -2.92829 |
Coulombic: | -37.6656 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.44 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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