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Chemical ID: 5884185
Chemical ID:
5884185
Name [?]:
N-[[2-(2,4-dimethylphenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CCOC)C(=O)c3cc(cc(c3)OC)OC
InChi [?]:
InChI=1/C29H38N4O5/c1-19-9-10-24(20(2)13-19)33-26(17-25(31-33)29(3,4)5)30-27(34)18-32(11-12-36-6)28(35)21-14-22(37-7)16-23(15-21)38-8/h9-10,13-17H,11-12,18H2,1-8H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,8,15,16,17,26,36,38,3,4,23,24,7,34,30,32,11,21,2,6,29,33,31,5,12,10,19,27,14,18,13,22,9,20,28,25,35,37/E:(3,4,5)(7,8)(14,15)(22,23)(37,38)/rA:38nCCCCCCCCNCCCNCCCCNCOCNCCOCCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;s14;s14;s10;s18;d19;s19;s21;s22;s23;s24;s25;s22;d27;s27;s29;d30;s31;d32;d29s33;s33;s35;s31;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H38N4O5 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6768 |
Area: | 776.64 |
Solvation: | -8.73918 |
Coulombic: | -62.6751 |
Bond Count [?]
All: | 40 |
Single: | 30 |
Double: | 10 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 522.636 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.13 |
LogP (Chemaxon): | 4.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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