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Chemical ID: 6721823
Chemical ID:
6721823
Name [?]:
4-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-(tetrahydrofuran-2-ylmethyl)butanamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NCC3CCCO3
InChi [?]:
InChI=1/C18H24N2O4/c1-13-6-7-16-15(10-13)20(18(22)12-24-16)8-2-5-17(21)19-11-14-4-3-9-23-14/h6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,14,22,21,15,3,4,13,23,7,19,11,2,20,6,5,16,9,18,8,17,10,24,12/rA:24cCCCCCCCNCOCOCCCCONCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;s14;s15;d16;s16;s18;s19;s20;s21;s22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O4 |
All Atoms: | 48 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.77904 |
Area: | 562.635 |
Solvation: | -5.28685 |
Coulombic: | -52.2502 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.394 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.27 |
LogP (Chemaxon): | 0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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