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| Ligand Name: [1-(5-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)-2-methylpropyl] carbamic acid 1,1-dimethylethyl ester |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB940 |
PubChem:
196622
|
Synonym(s):
- 108562-43-2
- 5-cobce
- dtxsid40910775
- (1-(5-chloro-4-oxo-4h-3,1-benzoxazin-2-yl)-2-methylpropyl)carbamic acid 1,1-dimethylethyl ester
- tert-butyl hydrogen [1-(5-chloro-4-oxo-4h-3,1-benzoxazin-2-yl)-2-methylpropyl]carbonimidate
show 4 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CC(C)(C)OC(=O)N[C@@H](C(C)C)c(oc1=O)nc(c12)cccc2Cl |
| Standard InChI: InChI=1S/C17H21ClN2O4/c1-9(2)13(20-16(22)24-17(3,4)5)14-19-11-8-6-7-10(18)12(11)15(21)23-14/h6-9,13H,1-5H3,(H,20,22)/t13-/m0/s1 |
| Molecular Formula: C17H21ClN2O4 |
Mol. Weight: 352.119 |
logP: 4.0632 |
| HBD: 1 | HBA: 5 |
| #Rotatable Bonds: 3 | TPSA: 81.43 |