2-methyl-7-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-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-methyl-7-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-methyl-7-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-5585 |
| Compound Name: | 2-methyl-7-(2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 365.37 |
| Molecular Formula: | C14 H15 N5 O5 S |
| Smiles: | CN1C(N2CCN(CCC2=N1)S(c1ccc2c(c1)OC(N2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5914 |
| logD: | 0.5577 |
| logSw: | -2.3326 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.403 |
| InChI Key: | QJOIUEUPUOMGCJ-UHFFFAOYSA-N |