Chemical ID: 5880830

CC(C)N(CC(=O)Nc1cc(nn1c2ccccc2Cl)C(C)(C)C)C(=O)c3cc(cc(c3)OC)OC
Chemical ID:
5880830
Name [?]:
N-[[2-(2-chlorophenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-N-isopropyl-3,5-dimethoxy-benzamide
SMILES [?]:
CC(C)N(CC(=O)Nc1cc(nn1c2ccccc2Cl)C(C)(C)C)C(=O)c3cc(cc(c3)OC)OC
InChi [?]:
InChI=1/C27H33ClN4O4/c1-17(2)31(26(34)18-12-19(35-6)14-20(13-18)36-7)16-25(33)29-24-15-23(27(3,4)5)30-32(24)22-11-9-8-10-21(22)28/h8-15,17H,16H2,1-7H3,(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,3,22,23,24,34,36,17,16,18,15,32,28,30,10,5,2,27,31,29,19,14,11,9,6,25,21,20,8,12,4,13,7,26,33,35/E:(1,2)(3,4,5)(6,7)(12,13)(19,20)(35,36)/rA:36nCCCNCCONCCCNNCCCCCCClCCCCCOCCCCCCOCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;d14s18;s19;s11;s21;s21;s21;s4;d25;s25;s27;d28;s29;d30;d27s31;s31;s33;s29;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H33ClN4O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.8419
Area:727.884
Solvation:-6.35515
Coulombic:-57.6317
Bond Count [?]
All:38
Single:28
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:513.028
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.17
LogP (Chemaxon):4.97

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Descriptor Annotations

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