Chemical ID: 6042291

CC(C)C(C)NC(=O)c1cccc(c1)CN2c3cc(ccc3OCC2=O)C(C)(C)C
Chemical ID:
6042291
Name [?]:
N-(1,2-dimethylpropyl)-3-[(9-oxo-3-tert-butyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]benzamide
SMILES [?]:
CC(C)C(C)NC(=O)c1cccc(c1)CN2c3cc(ccc3OCC2=O)C(C)(C)C
InChi [?]:
InChI=1/C25H32N2O3/c1-16(2)17(3)26-24(29)19-9-7-8-18(12-19)14-27-21-13-20(25(4,5)6)10-11-22(21)30-15-23(27)28/h7-13,16-17H,14-15H2,1-6H3,(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,3,5,28,29,30,11,12,10,20,21,14,18,15,24,2,4,13,9,19,17,22,25,7,27,6,16,26,8,23/E:(1,2)(4,5,6)/rA:30cCCCCCNCOCCCCCCCNCCCCCCOCCOCCCC/rB:s1;s2;s2;s4;s4;s6;d7;s7;s9;d10;s11;d12;d9s13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s16s24;d25;s19;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H32N2O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.2944
Area:625.591
Solvation:-3.34538
Coulombic:-49.8207
Bond Count [?]
All:32
Single:24
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:408.533
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.26
LogP (Chemaxon):4.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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