Chemical ID: 5973076

CC1CCN(CC1)C(=O)CN2c3cc(ccc3OCC2=O)C(=O)C
Chemical ID:
5973076
Name [?]:
3-acetyl-10-[(4-methyl-1-piperidyl)carbonylmethyl]-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
CC1CCN(CC1)C(=O)CN2c3cc(ccc3OCC2=O)C(=O)C
InChi [?]:
InChI=1/C18H22N2O4/c1-12-5-7-19(8-6-12)17(22)10-20-15-9-14(13(2)21)3-4-16(15)24-11-18(20)23/h3-4,9,12H,5-8,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,15,16,3,7,4,6,13,10,19,2,22,14,12,17,8,20,5,11,23,9,21,18/E:(5,6)(7,8)/rA:24nCCCCNCCCOCNCCCCCCOCCOCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s11s19;d20;s14;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22N2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.32147
Area:525.735
Solvation:-4.8219
Coulombic:-47.4992
Bond Count [?]
All:26
Single:20
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:330.378
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.32
LogP (Chemaxon):0.13

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Descriptor Annotations

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