Chemical ID: 4206531

c1cc(oc1)C(=O)Nc2ccc(c(c2)C(=O)N)N3CCOCC3
Chemical ID:
4206531
Name [?]:
N-(3-carbamoyl-4-morpholino-phenyl)furan-2-carboxamide
SMILES [?]:
c1cc(oc1)C(=O)Nc2ccc(c(c2)C(=O)N)N3CCOCC3
InChi [?]:
InChI=1/C16H17N3O4/c17-15(20)12-10-11(18-16(21)14-2-1-7-23-14)3-4-13(12)19-5-8-22-9-6-19/h1-4,7,10H,5-6,8-9H2,(H2,17,20)(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,10,11,19,23,5,20,22,14,9,13,12,3,15,6,17,8,18,16,7,21,4/E:(5,6)(8,9)/rA:23nCCCOCCONCCCCCCCONNCCOCC/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s15;s12;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N3O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.51025
Area:504.791
Solvation:-5.10952
Coulombic:-68.5556
Bond Count [?]
All:25
Single:18
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:315.324
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:0.39
LogP (Chemaxon):0.62

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