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Chemical ID: 7069677
Chemical ID:
7069677
Name [?]:
1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-hydroxyphenyl)-4-(3-phenylprop-2-enoyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCN1C(C(=C(C1=O)O)C(=O)C=Cc2ccccc2)c3ccc(cc3)O
InChi [?]:
InChI=1/C23H24N2O4/c1-24(2)14-15-25-21(17-9-11-18(26)12-10-17)20(22(28)23(25)29)19(27)13-8-16-6-4-3-5-7-16/h3-13,21,26,28H,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,20,19,21,18,22,16,24,28,25,27,15,4,5,17,23,26,13,8,7,9,10,2,6,29,14,12,11/E:(1,2)(4,5)(6,7)(9,10)(11,12)/rA:29cCNCCCNCCCCOOCOCCCCCCCCCCCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s6s9;d10;s9;s8;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s7;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2O4 |
All Atoms: | 53 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.76087 |
Area: | 613.365 |
Solvation: | -5.57324 |
Coulombic: | -64.4997 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 392.448 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.92 |
LogP (Chemaxon): | 0.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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