Chemical ID: 4890625

c1ccc2c(c1)ccc3c2c(co3)CC(=O)NCc4cccnc4
Chemical ID:
4890625
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c(co3)CC(=O)NCc4cccnc4
InChi [?]:
InChI=1/C20H16N2O2/c23-19(22-12-14-4-3-9-21-11-14)10-16-13-24-18-8-7-15-5-1-2-6-17(15)20(16)18/h1-9,11,13H,10,12H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,6,3,7,8,22,14,24,18,12,19,5,11,4,9,15,10,23,17,16,13/rA:24nCCCCCCCCCCCCOCCONCCCCCNC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N2O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.82436
Area:522.735
Solvation:-4.24401
Coulombic:-32.6209
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:316.353
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.92
LogP (Chemaxon):3.1

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Experimental Annotations

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Descriptor Annotations

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