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Chemical ID: 7022890
Chemical ID:
7022890
Name [?]:
2-[4-[3-(4-ethoxybenzoyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2H-pyrrol-2-yl]phenoxy]acetamide
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OCC(=O)N)CCCN4CCOCC4)O
InChi [?]:
InChI=1/C28H33N3O7/c1-2-37-21-10-6-20(7-11-21)26(33)24-25(19-4-8-22(9-5-19)38-18-23(29)32)31(28(35)27(24)34)13-3-12-30-14-16-36-17-15-30/h4-11,25,34H,2-3,12-18H2,1H3,(H2,29,32)
InChi Info:
AuxInfo=1/1/N:1,2,30,19,23,6,8,20,22,5,9,31,29,33,37,34,36,25,18,7,4,21,26,12,17,10,13,14,28,32,16,27,11,38,15,35,3,24/E:(4,5)(6,7)(8,9)(10,11)(14,15)(16,17)/rA:38cCCOCCCCCCCOCCCONCCCCCCCOCCONCCCNCCOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;d26;s26;s16;s29;s30;s31;s32;s33;s34;s35;s32s36;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H33N3O7 |
All Atoms: | 71 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.95276 |
Area: | 807.094 |
Solvation: | -10.2246 |
Coulombic: | -94.0443 |
Bond Count [?]
All: | 41 |
Single: | 31 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 523.578 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 10 |
XLogP: | 1.92 |
LogP (Chemaxon): | -1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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