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Chemical ID: 7157190
Chemical ID:
7157190
Name [?]:
2-(4-bromo-5-methyl-pyrazol-1-yl)-N,N-dicyclohexyl-acetamide
SMILES [?]:
Cc1c(cnn1CC(=O)N(C2CCCCC2)C3CCCCC3)Br
InChi [?]:
InChI=1/C18H28BrN3O/c1-14-17(19)12-20-21(14)13-18(23)22(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h12,15-16H,2-11,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,20,13,15,19,21,12,16,18,22,4,7,2,11,17,3,8,23,5,6,10,9/E:(2,3)(4,5,6,7)(8,9,10,11)(15,16)/rA:23nCCCCNNCCONCCCCCCCCCCCCBr/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s10;s17;s18;s19;s20;s17s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28BrN3O |
All Atoms: | 51 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6419 |
Area: | 529.51 |
Solvation: | -2.59583 |
Coulombic: | -21.324 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 382.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.52 |
LogP (Chemaxon): | 3.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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