7-[(6-chloro-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
7-[(6-chloro-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
7-[(6-chloro-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: | S636-0166 |
| Compound Name: | 7-[(6-chloro-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: | 363.76 |
| Molecular Formula: | C15 H14 Cl N5 O4 |
| Smiles: | C1CN(CCN2C1=NNC2=O)C(CN1C(=O)Oc2cc(ccc12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1116 |
| logD: | 1.1052 |
| logSw: | -2.7351 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.146 |
| InChI Key: | QMLALCYHAYPOBO-UHFFFAOYSA-N |