ChemDB: Chemical Search
Download
Chemical ID: 6240394
Chemical ID:
6240394
Name [?]:
3,3-dimethyl-N-(4-methyl-8-phenyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-butanamide
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC(=O)CC(C)(C)C)c3ccccc3
InChi [?]:
InChI=1/C20H23N3O/c1-14-10-11-23-16(12-14)21-18(15-8-6-5-7-9-15)19(23)22-17(24)13-20(2,3)4/h5-12H,13H2,1-4H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,16,17,18,22,21,23,20,24,3,4,7,14,2,19,6,12,9,10,15,8,11,5,13/E:(2,3,4)(6,7)(8,9)/rA:24nCCCCNCCNCCNCOCCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;d12;s12;s14;s15;s15;s15;s9;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23N3O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5493 |
Area: | 528.146 |
Solvation: | -2.65432 |
Coulombic: | -33.6996 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 321.416 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.98 |
LogP (Chemaxon): | 4.95 |
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 |
---|