Chemical ID: 6050073

CC(C)(C)c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)O
Chemical ID:
6050073
Name [?]:
5-[(4-oxo-8-tert-butyl-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)methyl]furan-2-carboxylic acid
SMILES [?]:
CC(C)(C)c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)O
InChi [?]:
InChI=1/C18H19NO5/c1-18(2,3)11-4-6-14-13(8-11)19(16(20)10-23-14)9-12-5-7-15(24-12)17(21)22/h4-8H,9-10H2,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,18,7,19,10,16,14,5,17,9,8,20,12,22,2,11,13,23,24,15,21/E:(1,2,3)(21,22)/rA:24nCCCCCCCCCCNCOCOCCCCCOCOO/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s8s14;s11;s16;d17;s18;d19;s17s20;s20;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.90639
Area:512.721
Solvation:-3.91163
Coulombic:-61.7126
Bond Count [?]
All:26
Single:19
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:329.347
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.65
LogP (Chemaxon):2.23

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