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Chemical ID: 4333151
Chemical ID:
4333151
Name [?]:
5-(4-chlorophenyl)-1-(2-diethylaminoethyl)-3-hydroxy-4-(3-phenylprop-2-enoyl)-5H-pyrrol-2-one
SMILES [?]:
CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)C=Cc2ccccc2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C25H27ClN2O3/c1-3-27(4-2)16-17-28-23(19-11-13-20(26)14-12-19)22(24(30)25(28)31)21(29)15-10-18-8-6-5-7-9-18/h5-15,23,30H,3-4,16-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,22,21,23,20,24,18,26,30,27,29,17,6,7,19,25,28,15,10,9,11,12,31,3,8,16,14,13/E:(1,2)(3,4)(6,7)(8,9)(11,12)(13,14)/rA:31cCCNCCCCNCCCCOOCOCCCCCCCCCCCCCCCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s9;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27ClN2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.4239 |
Area: | 659.456 |
Solvation: | -5.06246 |
Coulombic: | -49.2202 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 438.946 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.79 |
LogP (Chemaxon): | 1.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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