2-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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: | S636-1675 |
| Compound Name: | 2-(cyclopropylmethyl)-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: | 383.41 |
| Molecular Formula: | C19 H21 N5 O4 |
| Smiles: | C1CN(CCN2C1=NN(CC1CC1)C2=O)C(CN1C(=O)Oc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.222 |
| logD: | 1.2211 |
| logSw: | -1.9258 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.068 |
| InChI Key: | KFLGYEZEGPPSSJ-UHFFFAOYSA-N |