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Chemical ID: 4858604
Chemical ID:
4858604
Name [?]:
5-(2,5-dimethoxyphenyl)-1-(3-dimethylaminopropyl)-3-hydroxy-4-(4-methoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OC)c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C25H30N2O6/c1-26(2)13-6-14-27-22(19-15-18(32-4)11-12-20(19)33-5)21(24(29)25(27)30)23(28)16-7-9-17(31-3)10-8-16/h7-12,15,22,29H,6,13-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,23,33,31,5,17,21,18,20,27,28,4,6,25,16,19,26,24,29,9,8,14,10,11,2,7,15,13,12,22,32,30/E:(1,2)(7,8)(9,10)/rA:33cCNCCCCNCCCCOOCOCCCCCCOCCCCCCCOCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s7s10;d11;s10;s9;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s8;s24;d25;s26;d27;d24s28;s29;s30;s26;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H30N2O6 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.73033 |
Area: | 665.479 |
Solvation: | -7.90664 |
Coulombic: | -67.9754 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 454.516 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.15 |
LogP (Chemaxon): | -1.38 |
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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