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Chemical ID: 4017843
Chemical ID:
4017843
Name [?]:
4-acetyl-N-(m-tolyl)-1,4-diazepane-1-carboxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)N2CCCN(CC2)C(=O)C
InChi [?]:
InChI=1/C15H21N3O2/c1-12-5-3-6-14(11-12)16-15(20)18-8-4-7-17(9-10-18)13(2)19/h3,5-6,11H,4,7-10H2,1-2H3,(H,16,20)
InChi Info:
AuxInfo=1/1/N:1,20,4,13,3,5,14,12,16,17,7,2,18,6,9,8,15,11,19,10/rA:20nCCCCCCCNCONCCCNCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;s15;s11s16;s15;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21N3O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.30539 |
Area: | 465.027 |
Solvation: | -3.32028 |
Coulombic: | -44.4667 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 275.346 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.29 |
LogP (Chemaxon): | 1.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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