5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
Chemical Structure Depiction of
5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
Compound characteristics
| Compound ID: | P221-1482 |
| Compound Name: | 5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C19 H19 N3 O4 S2 |
| Smiles: | C1CN(Cc2cc(c3cccs3)nn2C1)S(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1562 |
| logD: | 2.1562 |
| logSw: | -2.6098 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.321 |
| InChI Key: | BIKCSPVEOKTWQP-UHFFFAOYSA-N |