Chemical ID: 6484207

c1ccc(cc1)CC(=O)N2CCC(=O)NCC2
Chemical ID:
6484207
Name [?]:
1-(2-phenylacetyl)-1,4-diazepan-5-one
SMILES [?]:
c1ccc(cc1)CC(=O)N2CCC(=O)NCC2
InChi [?]:
InChI=1/C13H16N2O2/c16-12-6-8-15(9-7-14-12)13(17)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,16,11,17,7,4,13,8,15,10,14,9/E:(2,3)(4,5)/rA:17nCCCCCCCCONCCCONCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;d13;s13;s15;s10s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N2O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.84315
Area:412.365
Solvation:-3.46598
Coulombic:-36.0961
Bond Count [?]
All:18
Single:13
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:232.278
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.5
LogP (Chemaxon):0.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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