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Chemical ID: 5988728

c1ccc2cc(ccc2c1)C(=O)N3CCCCC3c4nc(no4)c5ccc(cc5)F

Chemical ID:

5988728

Name [?]:

[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(2-naphthyl)methanone

SMILES [?]:

c1ccc2cc(ccc2c1)C(=O)N3CCCCC3c4nc(no4)c5ccc(cc5)F

InChi [?]:

InChI=1/C24H20FN3O2/c25-20-12-10-17(11-13-20)22-26-23(30-27-22)21-7-3-4-14-28(21)24(29)19-9-8-16-5-1-2-6-18(16)15-19/h1-2,5-6,8-13,15,21H,3-4,7,14H2

InChi Info:

AuxInfo=1/0/N:1,2,16,15,10,3,17,8,7,25,29,26,28,14,5,9,24,4,6,27,18,21,19,11,30,20,22,13,12,23/E:(10,11)(12,13)/rA:30cCCCCCCCCCCCONCCCCCCNCNOCCCCCCF/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;s11;s13;s14;s15;s16;s13s17;s18;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀FN₃O₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	10.899
Area:	588.682
Solvation:	-3.81801
Coulombic:	-35.6357

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	401.433
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.81
LogP (Chemaxon):	5.02

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value