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Chemical ID: 6735790
Chemical ID:
6735790
Name [?]:
2-(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-sec-butyl-propanamide
SMILES [?]:
CCC(C)NC(=O)C(C)N1c2cc(ccc2OCC1=O)C
InChi [?]:
InChI=1/C16H22N2O3/c1-5-11(3)17-16(20)12(4)18-13-8-10(2)6-7-14(13)21-9-15(18)19/h6-8,11-12H,5,9H2,1-4H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,21,4,9,2,14,15,12,18,13,3,8,11,16,19,6,5,10,20,7,17/rA:21cCCCCNCOCCNCCCCCCOCCOC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s10s18;d19;s13;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N2O3 |
All Atoms: | 43 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.01342 |
Area: | 484.379 |
Solvation: | -4.09606 |
Coulombic: | -45.5923 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 290.358 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.17 |
LogP (Chemaxon): | 1.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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