Chemical ID: 5883984

Cc1ccc(cc1)n2c(c(c(n2)C)c3ccccc3)NC(=O)CN(CC(C)C)C(=O)c4cccc(c4)OC
Chemical ID:
5883984
Name [?]:
N-isobutyl-3-methoxy-N-[[5-methyl-4-phenyl-2-(p-tolyl)pyrazol-3-yl]carbamoylmethyl]benzamide
SMILES [?]:
Cc1ccc(cc1)n2c(c(c(n2)C)c3ccccc3)NC(=O)CN(CC(C)C)C(=O)c4cccc(c4)OC
InChi [?]:
InChI=1/C31H34N4O3/c1-21(2)19-34(31(37)25-12-9-13-27(18-25)38-5)20-28(36)32-30-29(24-10-7-6-8-11-24)23(4)33-35(30)26-16-14-22(3)15-17-26/h6-18,21H,19-20H2,1-5H3,(H,32,36)
InChi Info:
AuxInfo=1/1/N:27,28,1,13,38,17,16,18,33,15,19,32,34,3,7,4,6,36,25,23,26,2,11,14,31,5,35,21,10,9,29,20,12,24,8,22,30,37/E:(1,2)(7,8)(10,11)(14,15)(16,17)/rA:38nCCCCCCCNCCCNCCCCCCCNCOCNCCCCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;s10;s14;d15;s16;d17;d14s18;s9;s20;d21;s21;s23;s24;s25;s26;s26;s24;d29;s29;s31;d32;s33;d34;d31s35;s35;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H34N4O3
All Atoms:38
Heavy Atoms:38
Chiral Atoms:0
ZAP Information [?]
Total:11.5983
Area:712.929
Solvation:-6.22492
Coulombic:-51.2922
Bond Count [?]
All:41
Single:28
Double:13
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:510.627
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.37
LogP (Chemaxon):5.45

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