Chemical ID: 5886734

Cc1cccc(c1C)n2c(cc(n2)C(C)(C)C)NC(=O)CN(C(C)C)C(=O)c3cccc4c3cccc4
Chemical ID:
5886734
Name [?]:
N-[[2-(2,3-dimethylphenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-N-isopropyl-naphthalene-1-carboxamide
SMILES [?]:
Cc1cccc(c1C)n2c(cc(n2)C(C)(C)C)NC(=O)CN(C(C)C)C(=O)c3cccc4c3cccc4
InChi [?]:
InChI=1/C31H36N4O2/c1-20(2)34(30(37)25-16-11-14-23-13-8-9-15-24(23)25)19-29(36)32-28-18-27(31(5,6)7)33-35(28)26-17-10-12-21(3)22(26)4/h8-18,20H,19H2,1-7H3,(H,32,36)
InChi Info:
AuxInfo=1/1/N:24,25,1,8,15,16,17,36,35,4,30,3,37,31,34,29,5,11,21,23,2,7,32,33,28,6,12,10,19,26,14,18,13,22,9,20,27/E:(1,2)(5,6,7)/rA:37nCCCCCCCCNCCCNCCCCNCOCNCCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s11;s9d12;s12;s14;s14;s14;s10;s18;d19;s19;s21;s22;s23;s23;s22;d26;s26;s28;d29;s30;d31;d28s32;s33;d34;s35;s32d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H36N4O2
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:14.5226
Area:739.028
Solvation:-3.95306
Coulombic:-45.5986
Bond Count [?]
All:40
Single:28
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:496.643
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.64
LogP (Chemaxon):6.89

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