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Chemical ID: 4857513
Chemical ID:
4857513
Name [?]:
3-hydroxy-1-(3-morpholinopropyl)-4-[4-(m-tolylmethoxy)benzoyl]-5-(3-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cccc(c1)COc2ccc(cc2)C(=O)C3=C(C(=O)N(C3c4cccnc4)CCCN5CCOCC5)O
InChi [?]:
InChI=1/C31H33N3O5/c1-22-5-2-6-23(19-22)21-39-26-10-8-24(9-11-26)29(35)27-28(25-7-3-12-32-20-25)34(31(37)30(27)36)14-4-13-33-15-17-38-18-16-33/h2-3,5-12,19-20,28,36H,4,13-18,21H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,26,31,3,5,25,12,14,11,15,27,32,30,34,38,35,37,7,29,8,2,6,13,24,10,18,23,16,19,20,28,33,22,17,39,21,36,9/E:(8,9)(10,11)(15,16)(17,18)/rA:39cCCCCCCCCOCCCCCCCOCCCONCCCCCNCCCCNCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;d18;s19;d20;s20;s18s22;s23;s24;d25;s26;d27;d24s28;s22;s30;s31;s32;s33;s34;s35;s36;s33s37;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H33N3O5 |
All Atoms: | 39 |
Heavy Atoms: | 39 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4 |
Area: | 814.899 |
Solvation: | -7.97242 |
Coulombic: | -68.0203 |
Bond Count [?]
All: | 43 |
Single: | 31 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 527.611 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.82 |
LogP (Chemaxon): | 0.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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