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Chemical ID: 7015418
Chemical ID:
7015418
Name [?]:
5-(3,4-dichlorophenyl)-1-(2-dimethylaminoethyl)-4-(3-ethoxybenzoyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)Cl)Cl)CCN(C)C)O
InChi [?]:
InChI=1/C23H24Cl2N2O4/c1-4-31-16-7-5-6-15(12-16)21(28)19-20(14-8-9-17(24)18(25)13-14)27(11-10-26(2)3)23(30)22(19)29/h5-9,12-13,20,29H,4,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,30,2,6,7,5,19,20,27,26,9,23,18,8,4,21,22,12,17,10,13,14,25,24,28,16,11,31,15,3/E:(2,3)/rA:31cCCOCCCCCCCOCCCONCCCCCCCClClCCNCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s21;s16;s26;s27;s28;s28;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24Cl2N2O4 |
All Atoms: | 55 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7589 |
Area: | 700.137 |
Solvation: | -5.74457 |
Coulombic: | -55.8953 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 463.353 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.63 |
LogP (Chemaxon): | 0.74 |
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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