N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-benzyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-benzyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-benzyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
Compound characteristics
| Compound ID: | V028-5966 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-5-benzyl-4-oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide |
| Molecular Weight: | 475.5 |
| Molecular Formula: | C25 H25 N5 O5 |
| Salt: | not_available |
| Smiles: | C1CN(Cc2ccccc2)C(c2cc(C(NCC(NCc3ccc4c(c3)OCO4)=O)=O)nn2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1677 |
| logD: | 2.1677 |
| logSw: | -2.8297 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.382 |
| InChI Key: | XWIBWTMOGRKUFW-UHFFFAOYSA-N |