Chemical ID: 6613721

CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)C)CCCOC)O
Chemical ID:
6613721
Name [?]:
4-(4-ethoxybenzoyl)-3-hydroxy-1-(3-methoxypropyl)-5-(p-tolyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)C)CCCOC)O
InChi [?]:
InChI=1/C24H27NO5/c1-4-30-19-12-10-18(11-13-19)22(26)20-21(17-8-6-16(2)7-9-17)25(14-5-15-29-3)24(28)23(20)27/h6-13,21,27H,4-5,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,29,2,26,20,22,19,23,6,8,5,9,25,27,21,18,7,4,12,17,10,13,14,16,11,30,15,28,3/E:(6,7)(8,9)(10,11)(12,13)/rA:30cCCOCCCCCCCOCCCONCCCCCCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s21;s16;s25;s26;s27;s28;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27NO5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.2625
Area:667.927
Solvation:-6.43569
Coulombic:-58.5812
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:409.475
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.14
LogP (Chemaxon):2.67

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Descriptor Annotations

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