Chemical ID: 7024579

CCCCCOc1ccc(cc1)C2C(=C(C(=O)N2CC3CCCO3)O)C(=O)c4ccc(cc4)OC
Chemical ID:
7024579
Name [?]:
3-hydroxy-4-(4-methoxybenzoyl)-5-(4-pentoxyphenyl)-1-(tetrahydrofuran-2-ylmethyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1ccc(cc1)C2C(=C(C(=O)N2CC3CCCO3)O)C(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C28H33NO6/c1-3-4-5-16-34-22-14-8-19(9-15-22)25-24(26(30)20-10-12-21(33-2)13-11-20)27(31)28(32)29(25)18-23-7-6-17-35-23/h8-15,23,25,31H,3-7,16-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,35,2,3,4,22,21,9,11,29,33,30,32,8,12,5,23,19,10,28,31,7,20,14,13,26,15,16,18,27,25,17,34,6,24/E:(8,9)(10,11)(12,13)(14,15)/rA:35cCCCCCOCCCCCCCCCCONCCCCCOOCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;s13s16;s18;s19;s20;s21;s22;s20s23;s15;s14;d26;s26;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H33NO6
All Atoms:68
Heavy Atoms:35
Chiral Atoms:2
ZAP Information [?]
Total:10.8603
Area:753.804
Solvation:-7.98481
Coulombic:-65.5652
Bond Count [?]
All:38
Single:29
Double:9
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:479.565
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.3
LogP (Chemaxon):3.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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