N-{2-[2-(3,4-dimethylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
Chemical Structure Depiction of
N-{2-[2-(3,4-dimethylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
N-{2-[2-(3,4-dimethylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
Compound characteristics
| Compound ID: | P218-3104 |
| Compound Name: | N-{2-[2-(3,4-dimethylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-oxoethyl}-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide |
| Molecular Weight: | 521.64 |
| Molecular Formula: | C27 H31 N5 O4 S |
| Smiles: | Cc1ccc(cc1C)c1cc2CN(CCCn2n1)C(CN(C)S(c1ccc2c(CCC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9296 |
| logD: | 2.9282 |
| logSw: | -3.4813 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.546 |
| InChI Key: | QGMUOOHMOQUFTM-UHFFFAOYSA-N |