Chemical ID: 7035589

CCCOc1ccc(cc1OCC)C2C(=C(C(=O)N2CCOC)O)C(=O)c3ccc(cc3)F
Chemical ID:
7035589
Name [?]:
5-(3-ethoxy-4-propoxy-phenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1OCC)C2C(=C(C(=O)N2CCOC)O)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C25H28FNO6/c1-4-13-33-19-11-8-17(15-20(19)32-5-2)22-21(23(28)16-6-9-18(26)10-7-16)24(29)25(30)27(22)12-14-31-3/h6-11,15,22,29H,4-5,12-14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,23,2,12,28,32,7,29,31,6,20,3,21,9,27,8,30,5,10,15,14,25,16,17,33,19,26,24,18,22,11,4/E:(6,7)(9,10)/rA:33cCCCOCCCCCCOCCCCCCONCCOCOCOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s8;s14;d15;s16;d17;s14s17;s19;s20;s21;s22;s16;s15;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28FNO6
All Atoms:61
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:8.59825
Area:695.685
Solvation:-8.79388
Coulombic:-68.8268
Bond Count [?]
All:35
Single:26
Double:9
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:457.491
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.94
LogP (Chemaxon):2.85

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Descriptor Annotations

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