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Chemical ID: 7015869
Chemical ID:
7015869
Name [?]:
5-(3-chlorophenyl)-1-(2-diethylaminoethyl)-3-hydroxy-4-(3-methoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2cccc(c2)OC)c3cccc(c3)Cl
InChi [?]:
InChI=1/C24H27ClN2O4/c1-4-26(5-2)12-13-27-21(16-8-6-10-18(25)14-16)20(23(29)24(27)30)22(28)17-9-7-11-19(15-17)31-3/h6-11,14-15,21,29H,4-5,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,24,2,4,27,19,26,18,28,20,6,7,30,22,25,17,29,21,10,9,15,11,12,31,3,8,16,14,13,23/E:(1,2)(4,5)/rA:31cCCNCCCCNCCCCOOCOCCCCCCOCCCCCCCCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s9;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27ClN2O4 |
All Atoms: | 58 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.735 |
Area: | 692.267 |
Solvation: | -5.57171 |
Coulombic: | -56.129 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 442.935 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.43 |
LogP (Chemaxon): | 0.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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