Chemical ID: 5269217

CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccncc2)c3cccc(c3)OC
Chemical ID:
5269217
Name [?]:
1-(3-dimethylaminopropyl)-3-hydroxy-5-(3-methoxyphenyl)-4-(4-pyridylcarbonyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccncc2)c3cccc(c3)OC
InChi [?]:
InChI=1/C22H25N3O4/c1-24(2)12-5-13-25-19(16-6-4-7-17(14-16)29-3)18(21(27)22(25)28)20(26)15-8-10-23-11-9-15/h4,6-11,14,19,27H,5,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,29,24,5,23,25,17,21,18,20,4,6,27,16,22,26,9,8,14,10,11,19,2,7,15,13,12,28/E:(1,2)(8,9)(10,11)/rA:29cCNCCCCNCCCCOOCOCCCNCCCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s7s10;d11;s10;s9;d14;s14;s16;d17;s18;d19;d16s20;s8;s22;d23;s24;d25;d22s26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25N3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.06098
Area:609.978
Solvation:-6.18846
Coulombic:-58.3441
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:395.452
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.07
LogP (Chemaxon):-2.19

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Descriptor Annotations

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