3-methyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-methyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-methyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2646F |
| Compound Name: | 3-methyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 265.35 |
| Molecular Formula: | C11 H11 N3 O S2 |
| Smiles: | Cc1c2C(c3ccsc3)SCC(Nc2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6714 |
| logD: | 1.671 |
| logSw: | -2.371 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.051 |
| InChI Key: | KOMQBOGNVSYBCY-JTQLQIEISA-N |