Chemical ID: 5175162

COc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cccnc3)CCN4CCOCC4)O
Chemical ID:
5175162
Name [?]:
3-hydroxy-4-(3-methoxybenzoyl)-1-(2-morpholinoethyl)-5-(3-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
COc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cccnc3)CCN4CCOCC4)O
InChi [?]:
InChI=1/C23H25N3O5/c1-30-18-6-2-4-16(14-18)21(27)19-20(17-5-3-7-24-15-17)26(23(29)22(19)28)9-8-25-10-12-31-13-11-25/h2-7,14-15,20,28H,8-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,19,6,18,4,20,24,23,26,30,27,29,8,22,7,17,3,11,16,9,12,13,21,25,15,10,31,14,2,28/E:(10,11)(12,13)/rA:31cCOCCCCCCCOCCCONCCCCCNCCCNCCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;d11;s12;d13;s13;s11s15;s16;s17;d18;s19;d20;d17s21;s15;s23;s24;s25;s26;s27;s28;s25s29;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:8.61182
Area:651.511
Solvation:-7.67597
Coulombic:-66.0761
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:423.462
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.31
LogP (Chemaxon):-1.18

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