Chemical ID: 4864131

CCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(cc4)OCC
Chemical ID:
4864131
Name [?]:
4-(4-ethoxybenzoyl)-3-hydroxy-5-(3-methoxy-4-propoxy-phenyl)-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(cc4)OCC
InChi [?]:
InChI=1/C29H36N2O7/c1-4-16-38-23-11-8-21(19-24(23)35-3)26-25(27(32)20-6-9-22(10-7-20)37-5-2)28(33)29(34)31(26)13-12-30-14-17-36-18-15-30/h6-11,19,26,33H,4-5,12-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,38,12,2,37,31,35,7,32,34,6,20,19,22,26,3,23,25,9,30,8,33,5,10,14,13,28,15,16,21,18,29,27,17,11,24,36,4/E:(6,7)(9,10)(14,15)(17,18)/rA:38cCCCOCCCCCCOCCCCCONCCNCCOCCOCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;s13;d14;s15;d16;s13s16;s18;s19;s20;s21;s22;s23;s24;s21s25;s15;s14;d28;s28;s30;d31;s32;d33;d30s34;s33;s36;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H36N2O7
All Atoms:38
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:10.0019
Area:806.567
Solvation:-10.1623
Coulombic:-76.837
Bond Count [?]
All:41
Single:32
Double:9
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:524.605
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:3.33
LogP (Chemaxon):0.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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