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Chemical ID: 4864131
Chemical ID:
4864131
Name [?]:
4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxy-phenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(cc4)OCC
InChi [?]:
InChI=1/C29H36N2O7/c1-4-16-38-23-11-8-21(19-24(23)35-3)26-25(27(32)20-6-9-22(10-7-20)37-5-2)28(33)29(34)31(26)13-12-30-14-17-36-18-15-30/h6-11,19,26,33H,4-5,12-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,38,12,2,37,31,35,7,32,34,6,20,19,22,26,3,23,25,9,30,8,33,5,10,14,13,28,15,16,21,18,29,27,17,11,24,36,4/E:(6,7)(9,10)(14,15)(17,18)/rA:38cCCCOCCCCCCOCCCCCONCCNCCOCCOCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;d14;s15;d16;s13s16;s18;s19;s20;s21;s22;s23;s24;s21s25;s15;s14;d28;s28;s30;d31;s32;d33;d30s34;s33;s36;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H36N2O7 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0019 |
Area: | 806.567 |
Solvation: | -10.1623 |
Coulombic: | -76.837 |
Bond Count [?]
All: | 41 |
Single: | 32 |
Double: | 9 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 524.605 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 3.33 |
LogP (Chemaxon): | 0.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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