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| Ligand Name: tert-butyl N-[(1S)-1-{5-[(2-chloro-6-fluorophenyl)methanesulfonyl]-1,3,4-oxadiazol-2-yl}-2-methylpropyl]carbamate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1200 |
PubChem:
663743
|
Synonym(s):
- mls000084061
- smr000044502
- c18h23clfn3o5s
- mls000889794
- chembl260148
- cid_663743
- bdbm41383
- hms2429l16
- zinc2410151
- stk578665
- akos005503114
- mcule-7125034219
- tert-butyl n-[(1s)-1-[5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamate
- brd-k75248180-001-10-1
- 1019921-23-3
- n-[(1s)-1-[5-(2-chloro-6-fluoro-benzyl)sulfonyl-1,3,4-oxadiazol-2-yl]-2-methyl-propyl]carbamic acid tert-butyl ester
- n-[(1s)-1-[5-[(2-chloro-6-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methylpropyl]carbamic acid tert-butyl ester
- tert-butyl [(1s)-1-{5-[(2-chloro-6-fluorobenzyl)sulfonyl]-1,3,4-oxadiazol-2-yl}-2-methylpropyl]carbamate
- tert-butyl n-[(1s)-1-[5-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-methyl-propyl]carbamate
show 18 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL260148 |
| Canonical SMILES: CC(C)(C)OC(=O)N[C@@H](C(C)C)c1nnc(o1)S(=O)(=O)Cc2c(F)cccc2Cl |
| Standard InChI: InChI=1S/C18H23ClFN3O5S/c1-10(2)14(21-16(24)28-18(3,4)5)15-22-23-17(27-15)29(25,26)9-11-12(19)7-6-8-13(11)20/h6-8,10,14H,9H2,1-5H3,(H,21,24)/t14-/m0/s1 |
| Molecular Formula: C18H23ClFN3O5S |
Mol. Weight: 447.1031 |
logP: 4.0578 |
| HBD: 1 | HBA: 7 |
| #Rotatable Bonds: 6 | TPSA: 111.39 |