Chemical ID: 7160116

CC(C)(C)C1CCC(CC1)NC(=O)CCn2cc(cn2)[N+](=O)[O-]
Chemical ID:
7160116
Name [?]:
3-(4-nitropyrazol-1-yl)-N-(4-tert-butylcyclohexyl)-propanamide
SMILES [?]:
CC(C)(C)C1CCC(CC1)NC(=O)CCn2cc(cn2)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H26N4O3/c1-16(2,3)12-4-6-13(7-5-12)18-15(21)8-9-19-11-14(10-17-19)20(22)23/h10-13H,4-9H2,1-3H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,10,7,9,14,15,19,17,5,8,18,12,2,20,11,16,21,13,22,23/E:(1,2,3)(4,5)(6,7)(22,23)/CRV:20.5/rA:23nCCCCCCCCCCNCOCCNCCCNN+OO-/rB:s1;s2;s2;s2;s5;s6;s7;s8;s5s9;s8;s11;d12;s12;s14;s15;s16;d17;s18;s16d19;s18;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H26N4O3
All Atoms:49
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:6.36625
Area:555.136
Solvation:-7.51216
Coulombic:-38.1328
Bond Count [?]
All:24
Single:20
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:322.403
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.04
LogP (Chemaxon):2.45

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Descriptor Annotations

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