Chemical ID: 4804470

CN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3CC=C
Chemical ID:
4804470
Name [?]:
None
SMILES [?]:
CN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3CC=C
InChi [?]:
InChI=1/C22H16N2O4/c1-3-12-24-20(26)19-17(18(25)13-8-4-7-11-16(13)28-19)22(24)14-9-5-6-10-15(14)23(2)21(22)27/h3-11H,1,12H2,2H3
InChi Info:
AuxInfo=1/0/N:28,1,27,17,6,5,18,16,7,4,19,26,15,8,3,20,12,13,22,23,10,9,2,25,14,24,11,21/rA:28cCNCCCCCCCCOCCOCCCCCCOCCONCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s9s23;s25;s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16N2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.67356
Area:534.064
Solvation:-3.67805
Coulombic:-53.5482
Bond Count [?]
All:32
Single:21
Double:11
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:372.374
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.15
LogP (Chemaxon):2.21

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue