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Chemical ID: 7023487
Chemical ID:
7023487
Name [?]:
5-(4-benzyloxyphenyl)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(c(c2)C)OC)c3ccc(cc3)OCc4ccccc4
InChi [?]:
InChI=1/C32H36N2O5/c1-5-33(6-2)18-19-34-29(24-12-15-26(16-13-24)39-21-23-10-8-7-9-11-23)28(31(36)32(34)37)30(35)25-14-17-27(38-4)22(3)20-25/h7-17,20,29,36H,5-6,18-19,21H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,23,25,2,4,37,36,38,35,39,27,31,18,28,30,19,6,7,22,33,21,34,26,17,29,20,10,9,15,11,12,3,8,16,14,13,24,32/E:(1,2)(5,6)(8,9)(10,11)(12,13)(15,16)/rA:39cCCNCCCCNCCCCOOCOCCCCCCCOCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s8s11;d12;s11;s10;d15;s15;s17;d18;s19;d20;d17s21;s21;s20;s24;s9;s26;d27;s28;d29;d26s30;s29;s32;s33;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H36N2O5 |
All Atoms: | 75 |
Heavy Atoms: | 39 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.5958 |
Area: | 831.266 |
Solvation: | -7.18585 |
Coulombic: | -64.3469 |
Bond Count [?]
All: | 42 |
Single: | 30 |
Double: | 12 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 528.639 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 5.66 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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