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Chemical ID: 4807888

CCOc1ccc(cc1)NC(=O)c2ccccc2c3nc(no3)c4ccc(cc4)OC

Chemical ID:

4807888

Name [?]:

N-(4-ethoxyphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-benzamide

SMILES [?]:

CCOc1ccc(cc1)NC(=O)c2ccccc2c3nc(no3)c4ccc(cc4)OC

InChi [?]:

InChI=1/C24H21N3O4/c1-3-30-19-14-10-17(11-15-19)25-23(28)20-6-4-5-7-21(20)24-26-22(27-31-24)16-8-12-18(29-2)13-9-16/h4-15H,3H2,1-2H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,31,2,15,16,14,17,25,29,6,8,26,28,5,9,24,7,27,4,13,18,21,11,19,10,20,22,12,30,3,23/E:(8,9)(10,11)(12,13)(14,15)/rA:31nCCOCCCCCCNCOCCCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁N₃O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7504
Area:	654.46
Solvation:	-5.61109
Coulombic:	-48.9464

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	415.441
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.33
LogP (Chemaxon):	4.97

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