Chemical ID: 6042761

Cc1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)Nc4ccc(c(c4)C)C
Chemical ID:
6042761
Name [?]:
N-(3,4-dimethylphenyl)-5-[(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)methyl]furan-2-carboxamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)Nc4ccc(c(c4)C)C
InChi [?]:
InChI=1/C23H22N2O4/c1-14-4-8-20-19(10-14)25(22(26)13-28-20)12-18-7-9-21(29-18)23(27)24-17-6-5-15(2)16(3)11-17/h4-11H,12-13H2,1-3H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,29,28,3,24,23,15,4,16,7,27,13,11,2,25,26,22,14,6,5,17,9,19,21,8,10,20,12,18/rA:29nCCCCCCCNCOCOCCCCCOCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s15;d16;s14s17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22N2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.3957
Area:612.133
Solvation:-3.90766
Coulombic:-55.8056
Bond Count [?]
All:32
Single:22
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:390.432
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.5
LogP (Chemaxon):3.55

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