Chemical ID: 5973258

CC(C)C(C)NC(=O)c1ccc(cc1)CN2c3ccccc3OCC2=O
Chemical ID:
5973258
Name [?]:
N-(1,2-dimethylpropyl)-4-[(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]benzamide
SMILES [?]:
CC(C)C(C)NC(=O)c1ccc(cc1)CN2c3ccccc3OCC2=O
InChi [?]:
InChI=1/C21H24N2O3/c1-14(2)15(3)22-21(25)17-10-8-16(9-11-17)12-23-18-6-4-5-7-19(18)26-13-20(23)24/h4-11,14-15H,12-13H2,1-3H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,3,5,19,20,18,21,11,13,10,14,15,24,2,4,12,9,17,22,25,7,6,16,26,8,23/E:(1,2)(8,9)(10,11)/rA:26cCCCCCNCOCCCCCCCNCCCCCCOCCO/rB:s1;s2;s2;s4;s4;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;d18;s19;d20;d17s21;s22;s23;s16s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N2O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.7433
Area:569.214
Solvation:-3.48708
Coulombic:-49.0377
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.427
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.45
LogP (Chemaxon):2.9

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