Chemical ID: 5883850

CC(C)CCN(CC(=O)Nc1cc(nn1c2ccc(cc2)Cl)C(C)(C)C)C(=O)Nc3ccccc3OC
Chemical ID:
5883850
Name [?]:
N-[2-(4-chlorophenyl)-5-tert-butyl-pyrazol-3-yl]-2-[isopentyl-[(2-methoxyphenyl)carbamoyl]amino]-acetamide
SMILES [?]:
CC(C)CCN(CC(=O)Nc1cc(nn1c2ccc(cc2)Cl)C(C)(C)C)C(=O)Nc3ccccc3OC
InChi [?]:
InChI=1/C28H36ClN5O3/c1-19(2)15-16-33(27(36)30-22-9-7-8-10-23(22)37-6)18-26(35)31-25-17-24(28(3,4)5)32-34(25)21-13-11-20(29)12-14-21/h7-14,17,19H,15-16,18H2,1-6H3,(H,30,36)(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,3,24,25,26,37,32,33,31,34,18,20,17,21,4,5,12,7,2,19,16,30,35,13,11,8,27,23,22,29,10,14,6,15,9,28,36/E:(1,2)(3,4,5)(11,12)(13,14)/rA:37nCCCCCNCCONCCCNNCCCCCCClCCCCCONCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s19;s13;s23;s23;s23;s6;d27;s27;s29;s30;d31;s32;d33;d30s34;s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H36ClN5O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:15.3391
Area:809.797
Solvation:-4.90582
Coulombic:-65.6674
Bond Count [?]
All:39
Single:29
Double:10
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:526.07
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.71
LogP (Chemaxon):6.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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