Chemical ID: 6041833

CC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CCOCC3
Chemical ID:
6041833
Name [?]:
5-(morpholinocarbonylmethyl)-8-tert-butyl-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
CC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CC(=O)N3CCOCC3
InChi [?]:
InChI=1/C18H24N2O4/c1-18(2,3)13-4-5-15-14(10-13)20(17(22)12-24-15)11-16(21)19-6-8-23-9-7-19/h4-5,10H,6-9,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,6,7,20,24,21,23,10,16,14,5,9,8,17,12,2,19,11,18,13,22,15/E:(1,2,3)(6,7)(8,9)/rA:24nCCCCCCCCCCNCOCOCCONCCOCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s8s14;s11;s16;d17;s17;s19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.59241
Area:525.114
Solvation:-5.53545
Coulombic:-48.536
Bond Count [?]
All:26
Single:21
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:332.394
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.53
LogP (Chemaxon):1.05

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