N,3-dimethyl-N-{2-[2-(3-methylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Chemical Structure Depiction of
N,3-dimethyl-N-{2-[2-(3-methylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
N,3-dimethyl-N-{2-[2-(3-methylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Compound characteristics
| Compound ID: | P218-3298 |
| Compound Name: | N,3-dimethyl-N-{2-[2-(3-methylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 509.58 |
| Molecular Formula: | C25 H27 N5 O5 S |
| Smiles: | Cc1cccc(c1)c1cc2CN(CCCn2n1)C(CN(C)S(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3985 |
| logD: | 2.3985 |
| logSw: | -2.8948 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.591 |
| InChI Key: | WSDUGVKTIJDJEG-UHFFFAOYSA-N |