Chemical ID: 4812771

COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)F)CC4CCCO4)O
Chemical ID:
4812771
Name [?]:
5-(4-fluorophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(tetrahydrofuran-2-ylmethyl)-5H-pyrrol-2-one
SMILES [?]:
COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)F)CC4CCCO4)O
InChi [?]:
InChI=1/C23H22FNO5/c1-29-17-10-6-15(7-11-17)21(26)19-20(14-4-8-16(24)9-5-14)25(23(28)22(19)27)13-18-3-2-12-30-18/h4-11,18,20,27H,2-3,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,27,26,18,22,5,7,19,21,4,8,28,24,17,6,20,3,25,11,16,9,12,13,23,15,10,30,14,2,29/E:(4,5)(6,7)(8,9)(10,11)/rA:30cCOCCCCCCCOCCCONCCCCCCCFCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;d11;s12;d13;s13;s11s15;s16;s17;d18;s19;d20;d17s21;s20;s15;s24;s25;s26;s27;s25s28;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22FNO5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:8.65142
Area:610.249
Solvation:-6.60481
Coulombic:-62.3256
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:411.423
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.63
LogP (Chemaxon):2.34

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Descriptor Annotations

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