Chemical ID: 4207068

c1ccc(c(c1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)c4ccc(cc4)Cl)F
Chemical ID:
4207068
Name [?]:
4-(4-chlorobenzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-(3-morpholinopropyl)-5H-pyrrol-2-one
SMILES [?]:
c1ccc(c(c1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)c4ccc(cc4)Cl)F
InChi [?]:
InChI=1/C24H24ClFN2O4/c25-17-8-6-16(7-9-17)22(29)20-21(18-4-1-2-5-19(18)26)28(24(31)23(20)30)11-3-10-27-12-14-32-15-13-27/h1-2,4-9,21,30H,3,10-15H2
InChi Info:
AuxInfo=1/0/N:1,2,14,6,3,26,30,27,29,15,13,17,21,18,20,25,28,5,4,8,7,23,9,10,31,32,16,12,24,22,11,19/E:(6,7)(8,9)(12,13)(14,15)/rA:32cCCCCCCCCCCONCCCNCCOCCOCOCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s7s10;s12;s13;s14;s15;s16;s17;s18;s19;s16s20;s9;s8;d23;s23;s25;d26;s27;d28;d25s29;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H24ClFN2O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:10.9977
Area:676.499
Solvation:-5.91472
Coulombic:-61.0354
Bond Count [?]
All:35
Single:26
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:458.91
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.79
LogP (Chemaxon):0.43

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Descriptor Annotations

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