Chemical ID: 5885896

Cc1ccccc1n2c(c(c(n2)C)c3ccccc3)NC(=O)CN(C(C)C)C(=O)c4ccc(cc4)C(C)(C)C
Chemical ID:
5885896
Name [?]:
N-isopropyl-N-[[5-methyl-2-(o-tolyl)-4-phenyl-pyrazol-3-yl]carbamoylmethyl]-4-tert-butyl-benzamide
SMILES [?]:
Cc1ccccc1n2c(c(c(n2)C)c3ccccc3)NC(=O)CN(C(C)C)C(=O)c4ccc(cc4)C(C)(C)C
InChi [?]:
InChI=1/C33H38N4O2/c1-22(2)36(32(39)26-17-19-27(20-18-26)33(5,6)7)21-29(38)34-31-30(25-14-9-8-10-15-25)24(4)35-37(31)28-16-12-11-13-23(28)3/h8-20,22H,21H2,1-7H3,(H,34,38)
InChi Info:
AuxInfo=1/1/N:26,27,1,13,37,38,39,17,16,18,4,5,3,15,19,6,31,35,32,34,23,25,2,11,14,30,33,7,21,10,9,28,36,20,12,24,8,22,29/E:(1,2)(5,6,7)(9,10)(14,15)(17,18)(19,20)/rA:39nCCCCCCCNCCCNCCCCCCCNCOCNCCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s8d11;s11;s10;s14;d15;s16;d17;d14s18;s9;s20;d21;s21;s23;s24;s25;s25;s24;d28;s28;s30;d31;s32;d33;d30s34;s33;s36;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C33H38N4O2
All Atoms:39
Heavy Atoms:39
Chiral Atoms:0
ZAP Information [?]
Total:14.4851
Area:766.693
Solvation:-4.6822
Coulombic:-46.1249
Bond Count [?]
All:42
Single:29
Double:13
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:522.681
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.87
LogP (Chemaxon):6.88

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