Chemical ID: 5973132

CC(=O)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NC(C)(C)C
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

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