Chemical ID: 5882291

CCCN(CC(=O)Nc1cc(nn1c2ccccc2)C(C)(C)C)C(=O)c3c(cccc3OC)OC
Chemical ID:
5882291
Name [?]:
2,6-dimethoxy-N-[(2-phenyl-5-tert-butyl-pyrazol-3-yl)carbamoylmethyl]-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)Nc1cc(nn1c2ccccc2)C(C)(C)C)C(=O)c3c(cccc3OC)OC
InChi [?]:
InChI=1/C27H34N4O4/c1-7-16-30(26(33)25-20(34-5)14-11-15-21(25)35-6)18-24(32)28-23-17-22(27(2,3)4)29-31(23)19-12-9-8-10-13-19/h8-15,17H,7,16,18H2,1-6H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,21,22,23,33,35,2,17,16,18,29,15,19,30,28,3,10,5,14,31,27,11,9,6,26,24,20,8,12,4,13,7,25,32,34/E:(2,3,4)(5,6)(9,10)(12,13)(14,15)(20,21)(34,35)/rA:35nCCCNCCONCCCNNCCCCCCCCCCCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;d14s18;s11;s20;s20;s20;s4;d24;s24;s26;d27;s28;d29;d26s30;s31;s32;s27;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H34N4O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:11.2034
Area:726.388
Solvation:-6.95627
Coulombic:-57.9716
Bond Count [?]
All:37
Single:27
Double:10
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:478.583
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.44
LogP (Chemaxon):4.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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