Chemical ID: 7033697

CCCCCOc1cccc(c1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(cc4)OCC
Chemical ID:
7033697
Name [?]:
4-(4-ethoxybenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(3-pentoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1cccc(c1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(cc4)OCC
InChi [?]:
InChI=1/C30H38N2O6/c1-3-5-6-18-38-25-9-7-8-23(21-25)27-26(28(33)22-10-12-24(13-11-22)37-4-2)29(34)30(35)32(27)15-14-31-16-19-36-20-17-31/h7-13,21,27,34H,3-6,14-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,38,2,37,3,4,9,10,8,31,35,32,34,20,19,22,26,5,23,25,12,30,11,33,7,14,13,28,15,16,21,18,29,27,17,24,36,6/E:(10,11)(12,13)(16,17)(19,20)/rA:38cCCCCCOCCCCCCCCCCONCCNCCOCCOCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;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:C30H38N2O6
All Atoms:76
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:12.936
Area:827.618
Solvation:-7.75439
Coulombic:-71.6822
Bond Count [?]
All:41
Single:32
Double:9
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:522.633
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.82
LogP (Chemaxon):1.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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