Chemical ID: 4878776

c1ccc(cc1)N2C(C3C(O2)C(=O)N(C3=O)c4ccccc4)c5cc6ccccc6nc5Cl
Chemical ID:
4878776
Name [?]:
8-(2-chloro-3-quinolyl)-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
SMILES [?]:
c1ccc(cc1)N2C(C3C(O2)C(=O)N(C3=O)c4ccccc4)c5cc6ccccc6nc5Cl
InChi [?]:
InChI=1/C26H18ClN3O3/c27-24-19(15-16-9-7-8-14-20(16)28-24)22-21-23(33-30(22)18-12-5-2-6-13-18)26(32)29(25(21)31)17-10-3-1-4-11-17/h1-15,21-23H
InChi Info:
AuxInfo=1/0/N:20,1,19,21,2,6,27,28,26,18,22,3,5,29,24,25,17,4,23,30,9,8,10,32,15,12,33,31,14,7,16,13,11/E:(3,4)(5,6)(10,11)(12,13)/rA:33cCCCCCCNCCCOCONCOCCCCCCCCCCCCCCNCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s7s10;s10;d12;s12;s9s14;d15;s14;s17;d18;s19;d20;d17s21;s8;s23;d24;s25;d26;s27;d28;s25s29;d30;d23s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H18ClN3O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:4
ZAP Information [?]
Total:10.4816
Area:613.992
Solvation:-4.86824
Coulombic:-39.2699
Bond Count [?]
All:38
Single:25
Double:13
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:455.892
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.1
LogP (Chemaxon):5.2

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