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Chemical ID: 4420179
Chemical ID:
4420179
Name [?]:
5-(4-chlorophenyl)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-methoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C24H27ClN2O4/c1-4-26(5-2)14-15-27-21(16-6-10-18(25)11-7-16)20(23(29)24(27)30)22(28)17-8-12-19(31-3)13-9-17/h6-13,21,29H,4-5,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,24,2,4,26,30,18,22,27,29,19,21,6,7,25,17,28,20,10,9,15,11,12,31,3,8,16,14,13,23/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:31cCCNCCCCNCCCCOOCOCCCCCCOCCCCCCCCl/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;s9;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27ClN2O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5061 |
Area: | 675.212 |
Solvation: | -5.37421 |
Coulombic: | -56.3988 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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