Chemical ID: 4207301

COc1ccc(cc1OC)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(cc4)F
Chemical ID:
4207301
Name [?]:
5-(3,4-dimethoxyphenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
COc1ccc(cc1OC)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C25H27FN2O6/c1-32-19-8-5-17(15-20(19)33-2)22-21(23(29)16-3-6-18(26)7-4-16)24(30)25(31)28(22)10-9-27-11-13-34-14-12-27/h3-8,15,22,30H,9-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,29,33,5,30,32,4,18,17,20,24,21,23,7,28,6,31,3,8,12,11,26,13,14,34,19,16,27,25,15,2,9,22/E:(3,4)(6,7)(11,12)(13,14)/rA:34cCOCCCCCCOCCCCCONCCNCCOCCOCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s20;s21;s22;s19s23;s13;s12;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27FN2O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:7.12377
Area:691.836
Solvation:-10.1721
Coulombic:-72.2463
Bond Count [?]
All:37
Single:28
Double:9
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:470.49
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.37
LogP (Chemaxon):-0.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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