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Chemical ID: 7153205
Chemical ID:
7153205
Name [?]:
N,N-dicyclohexyl-3-(3-nitropyrazol-1-yl)-propanamide
SMILES [?]:
c1cn(nc1[N+](=O)[O-])CCC(=O)N(C2CCCCC2)C3CCCCC3
InChi [?]:
InChI=1/C18H28N4O3/c23-18(12-14-20-13-11-17(19-20)22(24)25)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h11,13,15-16H,1-10,12,14H2
InChi Info:
AuxInfo=1/0/N:17,23,16,18,22,24,15,19,21,25,1,10,2,9,14,20,5,11,4,3,13,6,12,7,8/E:(1,2)(3,4,5,6)(7,8,9,10)(15,16)(24,25)/CRV:22.5/rA:25nCCNNCN+OO-CCCONCCCCCCCCCCCC/rB:d1;s2;s3;s1d4;s5;d6;s6;s3;s9;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s13;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28N4O3 |
All Atoms: | 53 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.38529 |
Area: | 558.753 |
Solvation: | -6.58352 |
Coulombic: | -38.005 |
Bond Count [?]
All: | 27 |
Single: | 23 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 348.44 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.82 |
LogP (Chemaxon): | 3.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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