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Chemical ID: 4829268
Chemical ID:
4829268
Name [?]:
5-(4-dimethylaminophenyl)-3-hydroxy-1-(3-methoxypropyl)-4-(4-methylbenzoyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)N(C)C)CCCOC)O
InChi [?]:
InChI=1/C24H28N2O4/c1-16-6-8-18(9-7-16)22(27)20-21(17-10-12-19(13-11-17)25(2)3)26(14-5-15-30-4)24(29)23(20)28/h6-13,21,28H,5,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,24,29,26,3,7,4,6,17,21,18,20,25,27,2,16,5,19,10,15,8,11,12,22,14,9,30,13,28/E:(2,3)(6,7)(8,9)(10,11)(12,13)/rA:30cCCCCCCCCOCCCONCCCCCCCNCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s22;s14;s25;s26;s27;s28;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8955 |
Area: | 665.79 |
Solvation: | -5.74924 |
Coulombic: | -57.447 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 408.49 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.01 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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