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Chemical ID: 6817379
Chemical ID:
6817379
Name [?]:
N-(3-methoxypropyl)-2-(4-oxo-8-tert-butyl-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-acetamide
SMILES [?]:
CC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCCOC
InChi [?]:
InChI=1/C18H26N2O4/c1-18(2,3)13-6-7-15-14(10-13)20(17(22)12-24-15)11-16(21)19-8-5-9-23-4/h6-7,10H,5,8-9,11-12H2,1-4H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,24,21,6,7,20,22,10,16,14,5,9,8,17,12,2,19,11,18,13,23,15/E:(1,2,3)/rA:24nCCCCCCCCCCNCOCOCCONCCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s8s14;s11;s16;d17;s17;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26N2O4 |
All Atoms: | 50 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.47889 |
Area: | 565.164 |
Solvation: | -5.65022 |
Coulombic: | -53.0608 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 334.41 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.95 |
LogP (Chemaxon): | 1.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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