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Chemical ID: 5884262
Chemical ID:
5884262
Name [?]:
2,4-dimethoxy-N-(3-methoxypropyl)-N-[[2-(p-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]benzamide
SMILES [?]:
Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CCCOC)C(=O)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C29H38N4O5/c1-20-9-11-21(12-10-20)33-26(18-25(31-33)29(2,3)4)30-27(34)19-32(15-8-16-36-5)28(35)23-14-13-22(37-6)17-24(23)38-7/h9-14,17-18H,8,15-16,19H2,1-7H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,14,15,16,26,38,36,23,3,7,4,6,31,30,22,24,33,10,20,2,5,32,29,34,11,9,18,27,13,17,12,21,8,19,28,25,37,35/E:(2,3,4)(9,10)(11,12)/rA:38nCCCCCCCNCCCNCCCCNCOCNCCCOCCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;s13;s13;s13;s9;s17;d18;s18;s20;s21;s22;s23;s24;s25;s21;d27;s27;s29;d30;s31;d32;d29s33;s34;s35;s32;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H38N4O5 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3721 |
Area: | 816.052 |
Solvation: | -9.02922 |
Coulombic: | -63.5142 |
Bond Count [?]
All: | 40 |
Single: | 30 |
Double: | 10 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 522.636 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 4.27 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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