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Chemical ID: 7015092
Chemical ID:
7015092
Name [?]:
3-hydroxy-4-(3-methoxybenzoyl)-1-(2-methoxyethyl)-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
COCCN1C(C(=C(C1=O)O)C(=O)c2cccc(c2)OC)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C24H27NO8/c1-29-10-9-25-20(15-12-17(31-3)23(33-5)18(13-15)32-4)19(22(27)24(25)28)21(26)14-7-6-8-16(11-14)30-2/h6-8,11-13,20,27H,9-10H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,21,29,33,31,16,15,17,4,3,19,27,23,14,22,18,26,24,7,6,12,8,25,9,5,13,11,10,2,20,28,32,30/E:(3,4)(12,13)(17,18)(31,32)/rA:33cCOCCNCCCCOOCOCCCCCCOCCCCCCCOCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s5s8;d9;s8;s7;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s6;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;s24;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H27NO8 |
All Atoms: | 60 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.04464 |
Area: | 673.429 |
Solvation: | -10.7911 |
Coulombic: | -78.0725 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 457.473 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 2.27 |
LogP (Chemaxon): | 1.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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