Chemical ID: 5973092

CCC(C)NC(=O)CN1c2cc(ccc2OCC1=O)C(=O)C
Chemical ID:
5973092
Name [?]:
2-(3-acetyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-sec-butyl-acetamide
SMILES [?]:
CCC(C)NC(=O)CN1c2cc(ccc2OCC1=O)C(=O)C
InChi [?]:
InChI=1/C16H20N2O4/c1-4-10(2)17-15(20)8-18-13-7-12(11(3)19)5-6-14(13)22-9-16(18)21/h5-7,10H,4,8-9H2,1-3H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,4,22,2,13,14,11,8,17,3,20,12,10,15,6,18,5,9,21,7,19,16/rA:22cCCCCNCOCNCCCCCCOCCOCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s9s17;d18;s12;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:7.77212
Area:500.432
Solvation:-4.73869
Coulombic:-52.1185
Bond Count [?]
All:23
Single:17
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.341
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.05
LogP (Chemaxon):0.06

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Descriptor Annotations

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