1XB
2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide
Find entries where: 1XB
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide |
| Identifiers | n/a |
| Formula | C20 H18 Cl N3 O2 S |
| Molecular Weight | 399.894 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1c(sc-2c1C(=N[C@H](c3c2c(no3)C)CC(=O)N)c4ccc(cc4)Cl)C |
| InChI | InChI=1S/C20H18ClN3O2S/c1-9-11(3)27-20-16(9)18(12-4-6-13(21)7-5-12)23-14(8-15(22)25)19-17(20)10(2)24-26-19/h4-7,14H,8H2,1-3H3,(H2,22,25)/t14-/m0/s1 |
| InChIKey | DRSQZZRFHBWKKZ-AWEZNQCLSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 45 |
| Chiral Atom Count | 1 |
| Bond Count | 48 |
| Aromatic Bond Count | 16 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL2431090 |
| PubChem | 57345400 |
| ChEMBL | CHEMBL2431090 |
