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Chemical ID: 7069699
Chemical ID:
7069699
Name [?]:
1-(2-dimethylaminoethyl)-3-hydroxy-5-(4-methoxyphenyl)-4-(3-phenylprop-2-enoyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCN1C(C(=C(C1=O)O)C(=O)C=Cc2ccccc2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C24H26N2O4/c1-25(2)15-16-26-22(18-10-12-19(30-3)13-11-18)21(23(28)24(26)29)20(27)14-9-17-7-5-4-6-8-17/h4-14,22,28H,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,30,20,19,21,18,22,16,24,28,25,27,15,4,5,17,23,26,13,8,7,9,10,2,6,14,12,11,29/E:(1,2)(5,6)(7,8)(10,11)(12,13)/rA:30cCNCCCNCCCCOOCOCCCCCCCCCCCCCCOC/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;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26N2O4 |
All Atoms: | 56 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.73527 |
Area: | 631.358 |
Solvation: | -6.04869 |
Coulombic: | -55.689 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 406.474 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.24 |
LogP (Chemaxon): | 0.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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