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Chemical ID: 6313908
Chemical ID:
6313908
Name [?]:
3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-5-(4-methoxyphenyl)-4-(3-phenylprop-2-enoyl)-5H-pyrrol-2-one
SMILES [?]:
COc1ccc(cc1)C2C(=C(C(=O)N2CCOCCO)O)C(=O)C=Cc3ccccc3
InChi [?]:
InChI=1/C24H25NO6/c1-30-19-10-8-18(9-11-19)22-21(20(27)12-7-17-5-3-2-4-6-17)23(28)24(29)25(22)13-15-31-16-14-26/h2-12,22,26,28H,13-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,29,28,30,27,31,25,5,7,4,8,24,15,19,16,18,26,6,3,22,10,9,11,12,14,20,23,21,13,2,17/E:(3,4)(5,6)(8,9)(10,11)/rA:31cCOCCCCCCCCCCONCCOCCOOCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s9s12;s14;s15;s16;s17;s18;s19;s11;s10;d22;s22;w24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25NO6 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.7994 |
Area: | 651.691 |
Solvation: | -8.49288 |
Coulombic: | -73.9845 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 423.458 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.49 |
LogP (Chemaxon): | 1.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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