ChemDB: Chemical Search
Download
Chemical ID: 5973005
Chemical ID:
5973005
Name [?]:
N-(4-diethylamino-1-methyl-butyl)-2-(4-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
CCN(CC)CCCC(C)NC(=O)CN1c2ccc(cc2OCC1=O)C
InChi [?]:
InChI=1/C20H31N3O3/c1-5-22(6-2)11-7-8-16(4)21-19(24)13-23-17-10-9-15(3)12-18(17)26-14-20(23)25/h9-10,12,16H,5-8,11,13-14H2,1-4H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,5,26,10,2,4,7,8,18,17,6,20,14,23,19,9,16,21,12,24,11,3,15,13,25,22/E:(1,2)(5,6)/rA:26cCCNCCCCCCCNCOCNCCCCCCOCCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s15s23;d24;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H31N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2179 |
Area: | 616.482 |
Solvation: | -4.19415 |
Coulombic: | -50.6987 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 361.479 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.28 |
LogP (Chemaxon): | 1.57 |
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 |
---|