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Chemical ID: 7018850
Chemical ID:
7018850
Name [?]:
1-(2-dimethylaminoethyl)-4-(2,5-dimethylbenzoyl)-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(c(c1)C(=O)C2=C(C(=O)N(C2c3cc(c(c(c3)OC)OC)OC)CCN(C)C)O)C
InChi [?]:
InChI=1/C26H32N2O6/c1-15-8-9-16(2)18(12-15)23(29)21-22(28(11-10-27(3)4)26(31)24(21)30)17-13-19(32-5)25(34-7)20(14-17)33-6/h8-9,12-14,22,30H,10-11H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,34,31,32,23,27,25,3,4,29,28,7,21,17,2,5,16,6,20,18,10,15,8,11,19,12,30,14,9,33,13,22,26,24/E:(3,4)(5,6)(13,14)(19,20)(32,33)/rA:34cCCCCCCCCOCCCONCCCCCCCOCOCOCCCNCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s18;s26;s14;s28;s29;s30;s30;s11;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H32N2O6 |
All Atoms: | 66 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.18744 |
Area: | 685.53 |
Solvation: | -7.95081 |
Coulombic: | -69.7601 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 468.542 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.27 |
LogP (Chemaxon): | -0.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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