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Chemical ID: 7024733
Chemical ID:
7024733
Name [?]:
5-(1-cyclohex-3-enyl)-3-hydroxy-4-(4-methylbenzoyl)-1-(tetrahydrofuran-2-ylmethyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2C3CCC=CC3)CC4CCCO4)O
InChi [?]:
InChI=1/C23H27NO4/c1-15-9-11-17(12-10-15)21(25)19-20(16-6-3-2-4-7-16)24(23(27)22(19)26)14-18-8-5-13-28-18/h2-3,9-12,16,18,20,26H,4-8,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,20,18,25,21,17,24,3,7,4,6,26,22,2,16,5,23,10,15,8,11,12,14,9,28,13,27/E:(9,10)(11,12)/rA:28cCCCCCCCCOCCCONCCCCCCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;s17;s18;d19;s16s20;s14;s22;s23;s24;s25;s23s26;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27NO4 |
All Atoms: | 55 |
Heavy Atoms: | 28 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.63111 |
Area: | 588.727 |
Solvation: | -5.08708 |
Coulombic: | -51.7774 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 381.465 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.45 |
LogP (Chemaxon): | 2.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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