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Chemical ID: 5192865

CC(C)c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4ccc(c(c4)OC)OC

Chemical ID:

5192865

Name [?]:

(3,4-dimethoxyphenyl)-[3-[3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone

SMILES [?]:

CC(C)c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4ccc(c(c4)OC)OC

InChi [?]:

InChI=1/C25H29N3O4/c1-16(2)17-7-9-18(10-8-17)23-26-24(32-27-23)20-6-5-13-28(15-20)25(29)19-11-12-21(30-3)22(14-19)31-4/h7-12,14,16,20H,5-6,13,15H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,3,32,30,17,16,5,9,6,8,24,25,18,28,20,2,4,7,23,15,26,27,10,12,21,11,14,19,22,31,29,13/E:(1,2)(7,8)(9,10)/rA:32cCCCCCCCCCCNCONCCCCNCCOCCCCCCOCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d10s13;s12;s15;s16;s17;s18;s15s19;s19;d21;s21;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₉N₃O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	11.4538
Area:	688.966
Solvation:	-5.77038
Coulombic:	-44.5725

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	435.516
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.92
LogP (Chemaxon):	4.31

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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