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Chemical ID: 4208003
Chemical ID:
4208003
Name [?]:
3-hydroxy-5-(4-methoxyphenyl)-4-(4-methylbenzoyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCN4CCOCC4)O
InChi [?]:
InChI=1/C25H28N2O5/c1-17-3-5-19(6-4-17)23(28)21-22(18-7-9-20(31-2)10-8-18)27(25(30)24(21)29)12-11-26-13-15-32-16-14-26/h3-10,22,29H,11-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,3,7,4,6,17,21,18,20,25,24,27,31,28,30,2,16,5,19,10,15,8,11,12,26,14,9,32,13,22,29/E:(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:32cCCCCCCCCOCCCONCCCCCCCOCCCNCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s14;s24;s25;s26;s27;s28;s29;s26s30;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H28N2O5 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0802 |
Area: | 676.92 |
Solvation: | -6.84284 |
Coulombic: | -63.6026 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 436.5 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.0 |
LogP (Chemaxon): | 0.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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