Chemical ID: 5882867

CCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)C)C(C)(C)C)C(=O)Nc3c(cccc3C)C
Chemical ID:
5882867
Name [?]:
2-[(2,6-dimethylphenyl)carbamoyl-propyl-amino]-N-[2-(p-tolyl)-5-tert-butyl-pyrazol-3-yl]-acetamide
SMILES [?]:
CCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)C)C(C)(C)C)C(=O)Nc3c(cccc3C)C
InChi [?]:
InChI=1/C28H37N5O2/c1-8-16-32(27(35)30-26-20(3)10-9-11-21(26)4)18-25(34)29-24-17-23(28(5,6)7)31-33(24)22-14-12-19(2)13-15-22/h9-15,17H,8,16,18H2,1-7H3,(H,29,34)(H,30,35)
InChi Info:
AuxInfo=1/1/N:1,20,34,35,22,23,24,2,31,32,30,16,18,15,19,3,10,5,17,33,29,14,11,9,6,28,25,21,8,27,12,4,13,7,26/E:(3,4)(5,6,7)(10,11)(12,13)(14,15)(20,21)/rA:35nCCCNCCONCCCNNCCCCCCCCCCCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;d14s18;s17;s11;s21;s21;s21;s4;d25;s25;s27;s28;d29;s30;d31;d28s32;s33;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H37N5O2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:14.7325
Area:747.389
Solvation:-3.95222
Coulombic:-57.2193
Bond Count [?]
All:37
Single:27
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:475.626
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.99
LogP (Chemaxon):5.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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