2-(2-methoxyethyl)-7-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
2-(2-methoxyethyl)-7-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-(2-methoxyethyl)-7-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1216 |
| Compound Name: | 2-(2-methoxyethyl)-7-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C18 H21 N5 O5 |
| Smiles: | COCCN1C(N2CCN(CCC2=N1)C(CN1C(=O)Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2311 |
| logD: | 0.2311 |
| logSw: | -1.4964 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.137 |
| InChI Key: | BTPOGMXXAHQRBX-UHFFFAOYSA-N |