Chemical ID: 7036195

CCCCCOc1ccc(cc1OCC)C2C(=C(C(=O)N2Cc3ccccc3)O)C(=O)c4ccc(cc4)OC
Chemical ID:
7036195
Name [?]:
1-benzyl-5-(3-ethoxy-4-pentoxy-phenyl)-3-hydroxy-4-(4-methoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1ccc(cc1OCC)C2C(=C(C(=O)N2Cc3ccccc3)O)C(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C32H35NO6/c1-4-6-10-19-39-26-18-15-24(20-27(26)38-5-2)29-28(30(34)23-13-16-25(37-3)17-14-23)31(35)32(36)33(29)21-22-11-8-7-9-12-22/h7-9,11-18,20,29,35H,4-6,10,19,21H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,39,2,14,3,26,25,27,4,24,28,33,37,9,34,36,8,5,11,22,23,32,10,35,7,12,17,16,30,18,19,21,31,29,20,38,13,6/E:(8,9)(11,12)(13,14)(16,17)/rA:39cCCCCCOCCCCCCOCCCCCCONCCCCCCCOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s10;s16;d17;s18;d19;s16s19;s21;s22;s23;d24;s25;d26;d23s27;s18;s17;d30;s30;s32;d33;s34;d35;d32s36;s35;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H35NO6
All Atoms:74
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:12.071
Area:823.396
Solvation:-8.51388
Coulombic:-66.6681
Bond Count [?]
All:42
Single:30
Double:12
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:529.623
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:6.73
LogP (Chemaxon):5.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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