2-[1-(3,4-dimethylbenzene-1-sulfonyl)piperidin-4-yl]-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Chemical Structure Depiction of
2-[1-(3,4-dimethylbenzene-1-sulfonyl)piperidin-4-yl]-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
2-[1-(3,4-dimethylbenzene-1-sulfonyl)piperidin-4-yl]-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
Compound characteristics
| Compound ID: | P222-0969 |
| Compound Name: | 2-[1-(3,4-dimethylbenzene-1-sulfonyl)piperidin-4-yl]-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | Cc1ccc(cc1C)S(N1CCC(CC1)c1cc2C(N(C)CCCn2n1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4817 |
| logD: | 2.4817 |
| logSw: | -2.6352 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.808 |
| InChI Key: | BVUAHANTUIKZFY-UHFFFAOYSA-N |