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Chemical ID: 7212605
Chemical ID:
7212605
Name [?]:
3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-(2,2,6,6-tetramethyl-4,5-dihydro-3H-pyridin-4-yl)-propanamide
SMILES [?]:
Cc1c(c(n(n1)CCC(=O)NC2CC([NH2+]C(C2)(C)C)(C)C)C)Cl
InChi [?]:
InChI=1/C17H29ClN4O/c1-11-15(18)12(2)22(20-11)8-7-14(23)19-13-9-16(3,4)21-17(5,6)10-13/h13,21H,7-10H2,1-6H3,(H,19,23)/p+1
InChi Info:
AuxInfo=1/1/N:1,22,18,19,20,21,8,7,17,13,2,4,12,9,3,16,14,23,11,6,15,5,10/E:(3,4,5,6)(9,10)(16,17)/rA:23nCCCCNNCCCONCCCN+CCCCCCCCl/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s16;s16;s14;s14;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H30ClN4O+ |
All Atoms: | 53 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -17.5371 |
Area: | 570.04 |
Solvation: | -31.7881 |
Coulombic: | 9.12021 |
Bond Count [?]
All: | 24 |
Single: | 21 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 341.899 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.76 |
LogP (Chemaxon): | 0.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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