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Chemical ID: 5973079
Chemical ID:
5973079
Name [?]:
1-[2-(8-acetyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)acetyl]piperidine-4-carboxamide
SMILES [?]:
CC(=O)c1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CCC(CC3)C(=O)N
InChi [?]:
InChI=1/C18H21N3O5/c1-11(22)13-2-3-15-14(8-13)21(17(24)10-26-15)9-16(23)20-6-4-12(5-7-20)18(19)25/h2-3,8,12H,4-7,9-10H2,1H3,(H2,19,25)
InChi Info:
AuxInfo=1/1/N:1,5,6,20,22,19,23,9,15,13,2,21,4,8,7,16,11,24,26,18,10,3,17,12,25,14/E:(4,5)(6,7)/rA:26nCCOCCCCCCNCOCOCCONCCCCCCON/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s7s13;s10;s15;d16;s16;s18;s19;s20;s21;s18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N3O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.38466 |
Area: | 560.382 |
Solvation: | -6.6249 |
Coulombic: | -70.3777 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 359.377 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | -0.86 |
LogP (Chemaxon): | -1.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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