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Chemical ID: 7033923
Chemical ID:
7033923
Name [?]:
4-(4-ethoxybenzoyl)-5-(3-ethoxy-4-pentoxy-phenyl)-3-hydroxy-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1ccc(cc1OCC)C2C(=C(C(=O)N2CCCOC)O)C(=O)c3ccc(cc3)OCC
InChi [?]:
InChI=1/C30H39NO7/c1-5-8-9-19-38-24-16-13-22(20-25(24)37-7-3)27-26(29(33)30(34)31(27)17-10-18-35-4)28(32)21-11-14-23(15-12-21)36-6-2/h11-16,20,27,33H,5-10,17-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,38,15,26,2,37,14,3,4,23,31,35,9,32,34,8,22,24,5,11,30,10,33,7,12,17,16,28,18,19,21,29,27,20,25,36,13,6/E:(11,12)(14,15)/rA:38cCCCCCOCCCCCCOCCCCCCONCCCOCOCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s10;s16;d17;s18;d19;s16s19;s21;s22;s23;s24;s25;s18;s17;d28;s28;s30;d31;s32;d33;d30s34;s33;s36;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H39NO7 |
All Atoms: | 77 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5049 |
Area: | 852.881 |
Solvation: | -9.8171 |
Coulombic: | -72.4765 |
Bond Count [?]
All: | 40 |
Single: | 31 |
Double: | 9 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 525.633 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 5.61 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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