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Chemical ID: 4890625
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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