Chemical ID: 7097825

CC(C)c1ccc(cc1)NC(=O)N2CCCC(C2)c3nc(no3)c4cccc(c4)OC
Chemical ID:
7097825
Name [?]:
N-(4-isopropylphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-piperidine-1-carboxamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)N2CCCC(C2)c3nc(no3)c4cccc(c4)OC
InChi [?]:
InChI=1/C24H28N4O3/c1-16(2)17-9-11-20(12-10-17)25-24(29)28-13-5-7-19(15-28)23-26-22(27-31-23)18-6-4-8-21(14-18)30-3/h4,6,8-12,14,16,19H,5,7,13,15H2,1-3H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,3,31,26,15,25,16,27,5,9,6,8,14,29,18,2,4,24,17,7,28,21,19,11,10,20,22,13,12,30,23/E:(1,2)(9,10)(11,12)/rA:31cCCCCCCCCCNCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s13s17;s17;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;s28;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28N4O3
All Atoms:59
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.9763
Area:675.45
Solvation:-3.9099
Coulombic:-50.6872
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:420.504
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.76
LogP (Chemaxon):4.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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