Chemical ID: 7176399

Cn1cc(c(n1)C(=O)N)NC(=O)c2cc(cc(c2)OC)OC
Chemical ID:
7176399
Name [?]:
4-(3,5-dimethoxybenzoyl)amino-1-methyl-pyrazole-3-carboxamide
SMILES [?]:
Cn1cc(c(n1)C(=O)N)NC(=O)c2cc(cc(c2)OC)OC
InChi [?]:
InChI=1/C14H16N4O4/c1-18-7-11(12(17-18)13(15)19)16-14(20)8-4-9(21-2)6-10(5-8)22-3/h4-7H,1-3H3,(H2,15,19)(H,16,20)
InChi Info:
AuxInfo=1/1/N:1,20,22,18,14,16,3,13,17,15,4,5,7,11,9,10,6,2,8,12,19,21/E:(2,3)(4,5)(9,10)(21,22)/rA:22nCNCCCNCONNCOCCCCCCOCOC/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s4;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s15;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16N4O4
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.47099
Area:499.584
Solvation:-5.01862
Coulombic:-65.7469
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:304.301
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:0.96
LogP (Chemaxon):0.57

Name Annotations

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Descriptor Annotations

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