ChemDB: Chemical Search
Download
Chemical ID: 6042291
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|