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Chemical ID: 4647505
Chemical ID:
4647505
Name [?]:
1-(2-dimethylaminoethyl)-5-(2-ethoxyphenyl)-3-hydroxy-4-(4-methoxy-2-methyl-benzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccccc1C2C(=C(C(=O)N2CCN(C)C)O)C(=O)c3ccc(cc3C)OC
InChi [?]:
InChI=1/C25H30N2O5/c1-6-32-20-10-8-7-9-19(20)22-21(24(29)25(30)27(22)14-13-26(3)4)23(28)18-12-11-17(31-5)15-16(18)2/h7-12,15,22,29H,6,13-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,30,19,20,32,2,7,6,8,5,26,25,17,16,28,29,27,24,9,4,11,10,22,12,13,18,15,23,21,14,31,3/E:(3,4)/rA:32cCCOCCCCCCCCCCONCCNCCOCOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;d13;s10s13;s15;s16;s17;s18;s18;s12;s11;d22;s22;s24;d25;s26;d27;d24s28;s29;s27;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H30N2O5 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5633 |
Area: | 654.377 |
Solvation: | -5.79611 |
Coulombic: | -62.9739 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 438.516 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.74 |
LogP (Chemaxon): | 0.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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