Chemical ID: 5997551

CC(C)(C)c1ccc(cc1)C(=O)N(C)CC(=O)N2CCCCC2c3nc(no3)c4cccc(c4)Cl
Chemical ID:
5997551
Name [?]:
N-[[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]carbonylmethyl]-N-methyl-4-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)N(C)CC(=O)N2CCCCC2c3nc(no3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C27H31ClN4O3/c1-27(2,3)20-13-11-18(12-14-20)26(34)31(4)17-23(33)32-15-6-5-10-22(32)25-29-24(30-35-25)19-8-7-9-21(28)16-19/h7-9,11-14,16,22H,5-6,10,15,17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,14,21,20,31,30,32,22,7,9,6,10,19,34,15,8,29,5,33,23,16,26,24,11,2,35,25,27,13,18,17,12,28/E:(1,2,3)(11,12)(13,14)/rA:35cCCCCCCCCCCCONCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s13;s15;d16;s16;s18;s19;s20;s21;s18s22;s23;d24;s25;d26;s24s27;s26;s29;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H31ClN4O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:13.8912
Area:724.617
Solvation:-4.2242
Coulombic:-48.1696
Bond Count [?]
All:38
Single:28
Double:10
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:495.013
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.14
LogP (Chemaxon):5.2

Name Annotations

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

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

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

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

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

Chemical MixSourceExternal IDDescriptorValue