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Chemical ID: 7418823
Chemical ID:
7418823
Name [?]:
4-[3-(2-furyl)prop-2-enoyl]-3-hydroxy-5-(3-pyridyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
c1cc(cnc1)CN2C(C(=C(C2=O)O)C(=O)C=Cc3ccco3)c4cccnc4
InChi [?]:
InChI=1/C22H17N3O4/c26-18(8-7-17-6-3-11-29-17)19-20(16-5-2-10-24-13-16)25(22(28)21(19)27)14-15-4-1-9-23-12-15/h1-13,20,27H,14H2
InChi Info:
AuxInfo=1/0/N:1,26,21,2,25,20,18,17,6,27,22,4,29,7,3,24,19,15,10,9,11,12,5,28,8,16,14,13,23/rA:29cCCCCNCCNCCCCOOCOCCCCCCOCCCCNC/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;w17;s18;d19;s20;d21;s19s22;s9;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17N3O4 |
All Atoms: | 46 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.29269 |
Area: | 546.939 |
Solvation: | -7.38078 |
Coulombic: | -54.4122 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 387.388 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.38 |
LogP (Chemaxon): | 0.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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