Chemical ID: 5884262

Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CCCOC)C(=O)c3ccc(cc3OC)OC
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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