Chemical ID: 5973086

CCCCCNC(=O)CN1c2cc(ccc2OCC1=O)C(=O)C
Chemical ID:
5973086
Name [?]:
2-(3-acetyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-pentyl-acetamide
SMILES [?]:
CCCCCNC(=O)CN1c2cc(ccc2OCC1=O)C(=O)C
InChi [?]:
InChI=1/C17H22N2O4/c1-3-4-5-8-18-16(21)10-19-14-9-13(12(2)20)6-7-15(14)23-11-17(19)22/h6-7,9H,3-5,8,10-11H2,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,23,2,3,4,14,15,5,12,9,18,21,13,11,16,7,19,6,10,22,8,20,17/rA:23nCCCCCNCOCNCCCCCCOCCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s10s18;d19;s13;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.81044
Area:543.867
Solvation:-4.78623
Coulombic:-52.6304
Bond Count [?]
All:24
Single:18
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:318.368
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.73
LogP (Chemaxon):0.43

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Descriptor Annotations

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