Chemical ID: 4017843

Cc1cccc(c1)NC(=O)N2CCCN(CC2)C(=O)C
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

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Descriptor Annotations

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