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Chemical ID: 6721827
Chemical ID:
6721827
Name [?]:
N-cyclopropyl-4-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-butanamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NC3CC3
InChi [?]:
InChI=1/C16H20N2O3/c1-11-4-7-14-13(9-11)18(16(20)10-21-14)8-2-3-15(19)17-12-5-6-12/h4,7,9,12H,2-3,5-6,8,10H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,14,15,3,20,21,4,13,7,11,2,19,6,5,16,9,18,8,17,10,12/E:(5,6)/rA:21nCCCCCCCNCOCOCCCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;s14;s15;d16;s16;s18;s19;s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O3 |
All Atoms: | 41 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77895 |
Area: | 506.816 |
Solvation: | -3.89145 |
Coulombic: | -44.4416 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 288.342 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.46 |
LogP (Chemaxon): | 0.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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