Chemical ID: 4792303

CCCCN1C(=O)c2c(c(=O)c3cc(ccc3o2)Cl)C14c5ccccc5N(C4=O)CC
Chemical ID:
4792303
Name [?]:
None
SMILES [?]:
CCCCN1C(=O)c2c(c(=O)c3cc(ccc3o2)Cl)C14c5ccccc5N(C4=O)CC
InChi [?]:
InChI=1/C24H21ClN2O4/c1-3-5-12-27-22(29)21-19(20(28)15-13-14(25)10-11-18(15)31-21)24(27)16-8-6-7-9-17(16)26(4-2)23(24)30/h6-11,13H,3-5,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,2,30,3,23,24,22,25,15,16,4,13,14,12,21,26,17,9,10,8,6,28,20,19,27,5,11,7,29,18/rA:31cCCCCNCOCCCOCCCCCCOClCCCCCCCNCOCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s14;s5s9;s20;s21;d22;s23;d24;d21s25;s26;s20s27;d28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21ClN2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.0169
Area:624.58
Solvation:-3.59761
Coulombic:-52.6408
Bond Count [?]
All:35
Single:25
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:436.887
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.93
LogP (Chemaxon):3.53

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