Chemical ID: 5882496

CCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)OC)C(C)(C)C)C(=O)c3ccccc3OC
Chemical ID:
5882496
Name [?]:
N-butyl-2-methoxy-N-[[2-(4-methoxyphenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]benzamide
SMILES [?]:
CCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)OC)C(C)(C)C)C(=O)c3ccccc3OC
InChi [?]:
InChI=1/C28H36N4O4/c1-7-8-17-31(27(34)22-11-9-10-12-23(22)36-6)19-26(33)29-25-18-24(28(2,3)4)30-32(25)20-13-15-21(35-5)16-14-20/h9-16,18H,7-8,17,19H2,1-6H3,(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,24,25,26,22,36,2,3,31,32,30,33,16,20,17,19,4,11,6,15,18,29,34,12,10,7,27,23,9,13,5,14,8,28,21,35/E:(2,3,4)(13,14)(15,16)/rA:36nCCCCNCCONCCCNNCCCCCCOCCCCCCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s18;s21;s12;s23;s23;s23;s5;d27;s27;s29;d30;s31;d32;d29s33;s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H36N4O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.8705
Area:769.673
Solvation:-7.37132
Coulombic:-57.2988
Bond Count [?]
All:38
Single:28
Double:10
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:492.61
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.01
LogP (Chemaxon):4.9

Name Annotations

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Descriptor Annotations

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