(2S)-2-benzyl-1-methyl-2,3-dihydroquinazolin-4-one
PubChem CID: 163023891
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 32.299 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 325.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-benzyl-1-methyl-2,3-dihydroquinazolin-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Is Pains | False |
| Molecular Formula | C16H16N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KRKWVLLKCHDMKS-HNNXBMFYSA-N |
| Fcsp3 | 0.1875 |
| Rotatable Bond Count | 2.0 |
| Compound Name | (2S)-2-benzyl-1-methyl-2,3-dihydroquinazolin-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.126 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 252.126 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 252.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8439338210526315 |
| Inchi | InChI=1S/C16H16N2O/c1-18-14-10-6-5-9-13(14)16(19)17-15(18)11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3,(H,17,19)/t15-/m0/s1 |
| Smiles | CN1[C@H](NC(=O)C2=CC=CC=C21)CC3=CC=CC=C3 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycosmis Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients