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Chemical ID: 7169210
Chemical ID:
7169210
Name [?]:
N-(1-adamantylmethyl)-3-(5-methyl-4-nitro-pyrazol-1-yl)-propanamide
SMILES [?]:
Cc1c(cnn1CCC(=O)NCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H26N4O3/c1-12-16(22(24)25)10-20-21(12)3-2-17(23)19-11-18-7-13-4-14(8-18)6-15(5-13)9-18/h10,13-15H,2-9,11H2,1H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,8,7,16,19,21,18,14,22,4,12,2,17,15,20,3,9,13,11,5,6,23,10,24,25/E:(4,5,6)(7,8,9)(13,14,15)(24,25)/CRV:22.5/rA:25nCCCCNNCCCONCCCCCCCCCCCN+OO-/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;s17;s19;s15s20;s13s20;s3;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26N4O3 |
All Atoms: | 51 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.50488 |
Area: | 549.918 |
Solvation: | -7.24306 |
Coulombic: | -38.166 |
Bond Count [?]
All: | 28 |
Single: | 24 |
Double: | 4 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.94 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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