Chemical ID: 4559973

COC(=O)C1Cc2c3ccccc3[nH]c2C(N1)c4cccc5c4cccc5
Chemical ID:
4559973
Name [?]:
None
SMILES [?]:
COC(=O)C1Cc2c3ccccc3[nH]c2C(N1)c4cccc5c4cccc5
InChi [?]:
InChI=1/C23H20N2O2/c1-27-23(26)20-13-18-16-10-4-5-12-19(16)24-22(18)21(25-20)17-11-6-8-14-7-2-3-9-15(14)17/h2-12,20-21,24-25H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,10,11,20,27,21,24,9,19,12,6,22,23,8,18,7,13,5,16,15,3,14,17,4,2/rA:27cCOCOCCCCCCCCCNCCNCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d7s14;s15;s5s16;s16;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20N2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:10.645
Area:551.557
Solvation:-3.14395
Coulombic:-41.7334
Bond Count [?]
All:31
Single:21
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:356.417
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.11
LogP (Chemaxon):4.34

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