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Chemical ID: 7251739
Chemical ID:
7251739
Name [?]:
2-azepan-1-yl-N-(3-cyanophenyl)-acetamide
SMILES [?]:
c1cc(cc(c1)NC(=O)CN2CCCCCC2)C#N
InChi [?]:
InChI=1/C15H19N3O/c16-11-13-6-5-7-14(10-13)17-15(19)12-18-8-3-1-2-4-9-18/h5-7,10H,1-4,8-9,12H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:14,15,13,16,1,2,6,12,17,4,18,10,3,5,8,19,7,11,9/E:(1,2)(3,4)(8,9)/rA:19nCCCCCCNCOCNCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s11s16;s3;t18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19N3O |
All Atoms: | 38 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.67034 |
Area: | 462.854 |
Solvation: | -2.90101 |
Coulombic: | -28.9925 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 257.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.75 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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