Chemical ID: 7723841

Cc1cccc(c1)C(=O)N=c2n(c3c(cccc3s2)OC)CC#C
Chemical ID:
7723841
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)C(=O)N=c2n(c3c(cccc3s2)OC)CC#C
InChi [?]:
InChI=1/C19H16N2O2S/c1-4-11-21-17-15(23-3)9-6-10-16(17)24-19(21)20-18(22)14-8-5-7-13(2)12-14/h1,5-10,12H,11H2,2-3H3
InChi Info:
AuxInfo=1/0/N:24,1,21,23,4,16,3,5,15,17,22,7,2,6,14,18,13,8,11,10,12,9,20,19/rA:24nCCCCCCCCONCNCCCCCCSOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;w10;s11;s12;s13;d14;s15;d16;d13s17;s11s18;s14;s20;s12;s22;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O2S
All Atoms:40
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:10.3309
Area:535.076
Solvation:-3.04604
Coulombic:-35.6815
Bond Count [?]
All:26
Single:17
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.47
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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