2-(3-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
Chemical Structure Depiction of
2-(3-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
2-(3-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
Compound characteristics
| Compound ID: | P218-2756 |
| Compound Name: | 2-(3-chlorophenyl)-5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C21 H20 Cl N3 O4 S |
| Smiles: | C1CN(Cc2cc(c3cccc(c3)[Cl])nn2C1)S(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0314 |
| logD: | 3.0314 |
| logSw: | -3.5287 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.303 |
| InChI Key: | PKXXIHYGWUPQHD-UHFFFAOYSA-N |