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Chemical ID: 7015483
Chemical ID:
7015483
Name [?]:
1-(2-dimethylaminoethyl)-3-hydroxy-5-(3-hydroxyphenyl)-4-(3-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)O)CCN(C)C)O
InChi [?]:
InChI=1/C24H28N2O5/c1-4-13-31-19-10-6-8-17(15-19)22(28)20-21(16-7-5-9-18(27)14-16)26(12-11-25(2)3)24(30)23(20)29/h5-10,14-15,21,27,29H,4,11-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,30,2,21,7,20,8,22,6,27,26,3,24,10,19,9,23,5,13,18,11,14,15,28,17,25,12,31,16,4/E:(2,3)/rA:31cCCCOCCCCCCCOCCCONCCCCCCCOCCNCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s23;s17;s26;s27;s28;s28;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N2O5 |
All Atoms: | 59 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6246 |
Area: | 680.792 |
Solvation: | -6.39524 |
Coulombic: | -71.3929 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 424.49 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.34 |
LogP (Chemaxon): | -0.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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