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Chemical ID: 4821636
Chemical ID:
4821636
Name [?]:
5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(c(c4)C)OC
InChi [?]:
InChI=1/C28H34N2O7/c1-5-37-22-9-6-19(17-23(22)35-4)25-24(26(31)20-7-8-21(34-3)18(2)16-20)27(32)28(33)30(25)11-10-29-12-14-36-15-13-29/h6-9,16-17,25,32H,5,10-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,35,37,11,2,6,30,31,5,19,18,21,25,22,24,34,8,33,7,29,32,4,9,13,12,27,14,15,20,17,28,26,16,36,10,23,3/E:(12,13)(14,15)/rA:37cCCOCCCCCCOCCCCCONCCNCCOCCOCOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;d13;s14;d15;s12s15;s17;s18;s19;s20;s21;s22;s23;s20s24;s14;s13;d27;s27;s29;d30;s31;d32;d29s33;s33;s32;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H34N2O7 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.68739 |
Area: | 767.714 |
Solvation: | -10.5055 |
Coulombic: | -75.6965 |
Bond Count [?]
All: | 40 |
Single: | 31 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 510.579 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 2.78 |
LogP (Chemaxon): | 0.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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