Chemical ID: 5882650

CCCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)OC)C(C)(C)C)C(=O)c3ccc(cc3)Cl
Chemical ID:
5882650
Name [?]:
4-chloro-N-[[2-(4-methoxyphenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-N-pentyl-benzamide
SMILES [?]:
CCCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)OC)C(C)(C)C)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C28H35ClN4O3/c1-6-7-8-17-32(27(35)20-9-11-21(29)12-10-20)19-26(34)30-25-18-24(28(2,3)4)31-33(25)22-13-15-23(36-5)16-14-22/h9-16,18H,6-8,17,19H2,1-5H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,25,26,27,23,2,3,4,31,35,32,34,17,21,18,20,5,12,7,30,33,16,19,13,11,8,28,24,36,10,14,6,15,9,29,22/E:(2,3,4)(9,10)(11,12)(13,14)(15,16)/rA:36nCCCCCNCCONCCCNNCCCCCCOCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s13;s24;s24;s24;s6;d28;s28;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H35ClN4O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:14.7508
Area:794.183
Solvation:-5.10379
Coulombic:-52.2122
Bond Count [?]
All:38
Single:28
Double:10
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:511.055
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.29
LogP (Chemaxon):6.07

Name Annotations

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Descriptor Annotations

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