Chemical ID: 5823387

c1ccc(cc1)n2c(c(cn2)C(=O)N3CCCCCC3)NC(=O)c4ccco4
Chemical ID:
5823387
Name [?]:
N-(4-azepan-1-ylcarbonyl-2-phenyl-pyrazol-3-yl)furan-2-carboxamide
SMILES [?]:
c1ccc(cc1)n2c(c(cn2)C(=O)N3CCCCCC3)NC(=O)c4ccco4
InChi [?]:
InChI=1/C21H22N4O3/c26-20(18-11-8-14-28-18)23-19-17(21(27)24-12-6-1-2-7-13-24)15-22-25(19)16-9-4-3-5-10-16/h3-5,8-11,14-15H,1-2,6-7,12-13H2,(H,23,26)
InChi Info:
AuxInfo=1/1/N:17,18,1,2,6,16,19,26,3,5,25,15,20,27,10,4,9,24,8,22,12,11,21,14,7,23,13,28/E:(1,2)(4,5)(6,7)(9,10)(12,13)/rA:28nCCCCCCNCCCNCONCCCCCCNCOCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s9;d12;s12;s14;s15;s16;s17;s18;s14s19;s8;s21;d22;s22;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N4O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.4151
Area:571.468
Solvation:-3.8716
Coulombic:-51.8902
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:378.425
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.44
LogP (Chemaxon):2.86

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Descriptor Annotations

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