Chemical ID: 6042577

CC(C)CNC(=O)c1ccc(o1)CN2c3cc(ccc3OCC2=O)C(C)(C)C
Chemical ID:
6042577
Name [?]:
N-isobutyl-5-[(9-oxo-3-tert-butyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]furan-2-carboxamide
SMILES [?]:
CC(C)CNC(=O)c1ccc(o1)CN2c3cc(ccc3OCC2=O)C(C)(C)C
InChi [?]:
InChI=1/C22H28N2O4/c1-14(2)11-23-21(26)19-9-7-16(28-19)12-24-17-10-15(22(3,4)5)6-8-18(17)27-13-20(24)25/h6-10,14H,11-13H2,1-5H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,26,27,28,18,10,19,9,16,4,13,22,2,17,11,15,20,8,23,6,25,5,14,24,7,21,12/E:(1,2)(3,4,5)/rA:28nCCCCNCOCCCCOCNCCCCCCOCCOCCCC/rB:s1;s2;s2;s4;s5;d6;s6;d8;s9;d10;s8s11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s14s22;d23;s17;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.1256
Area:608.527
Solvation:-4.08758
Coulombic:-56.654
Bond Count [?]
All:30
Single:23
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:384.469
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.51
LogP (Chemaxon):2.83

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Descriptor Annotations

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