N-{2-[2-(4-ethylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Chemical Structure Depiction of
N-{2-[2-(4-ethylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
N-{2-[2-(4-ethylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
Compound characteristics
| Compound ID: | P218-3392 |
| Compound Name: | N-{2-[2-(4-ethylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide |
| Molecular Weight: | 523.61 |
| Molecular Formula: | C26 H29 N5 O5 S |
| Smiles: | CCc1ccc(cc1)c1cc2CN(CCCn2n1)C(CN(C)S(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0817 |
| logD: | 3.0817 |
| logSw: | -3.5665 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.591 |
| InChI Key: | ROWYQMNZMHWUDU-UHFFFAOYSA-N |