Chemical ID: 5973286

c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(cc3)C(=O)NCc4cccnc4
Chemical ID:
5973286
Name [?]:
4-[(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)methyl]-N-(3-pyridylmethyl)benzamide
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(cc3)C(=O)NCc4cccnc4
InChi [?]:
InChI=1/C22H19N3O3/c26-21-15-28-20-6-2-1-5-19(20)25(21)14-16-7-9-18(10-8-16)22(27)24-13-17-4-3-11-23-12-17/h1-12H,13-15H2,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,6,3,14,18,15,17,26,28,22,12,10,13,23,16,5,4,8,19,27,21,7,9,20,11/E:(7,8)(9,10)/rA:28nCCCCCCNCOCOCCCCCCCCONCCCCCNC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H19N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.4298
Area:593.607
Solvation:-4.41034
Coulombic:-52.7626
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:373.405
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.37
LogP (Chemaxon):1.74

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