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Chemical ID: 5973132
Chemical ID:
5973132
Name [?]:
4-(8-acetyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-tert-butyl-butanamide
SMILES [?]:
CC(=O)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C18H24N2O4/c1-12(21)13-7-8-15-14(10-13)20(17(23)11-24-15)9-5-6-16(22)19-18(2,3)4/h7-8,10H,5-6,9,11H2,1-4H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,22,23,24,16,17,5,6,15,9,13,2,4,8,7,18,11,21,20,10,3,19,12,14/E:(2,3,4)/rA:24nCCOCCCCCCNCOCOCCCCONCCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s7s13;s10;s15;s16;s17;d18;s18;s20;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.17295 |
Area: | 559.434 |
Solvation: | -4.8129 |
Coulombic: | -51.1524 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.394 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.62 |
LogP (Chemaxon): | 0.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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