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Chemical ID: 5269217
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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