Chemical ID: 3967140

c1ccc2c(c1)c(=O)n(c(=O)[nH]2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F
Chemical ID:
3967140
Name [?]:
3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1H-quinazoline-2,4-dione
SMILES [?]:
c1ccc2c(c1)c(=O)n(c(=O)[nH]2)CCN3CCC(CC3)C(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,24,28,25,27,17,19,16,20,14,13,23,18,26,5,4,21,7,10,29,12,15,9,22,8,11/E:(5,6)(7,8)(9,10)(11,12)/rA:29nCCCCCCCONCONCCNCCCCCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s4s10;s9;s13;s14;s15;s16;s17;s18;s15s19;s18;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22FN3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.5123
Area:602.814
Solvation:-4.5581
Coulombic:-57.034
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:395.427
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.5
LogP (Chemaxon):2.88

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Descriptor Annotations

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