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Chemical ID: 5973092
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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