Chemical ID: 4208003

Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)OC)CCN4CCOCC4)O
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

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Experimental Annotations

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Descriptor Annotations

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