1-(2-chlorophenyl)-3-methyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(2-chlorophenyl)-3-methyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2-chlorophenyl)-3-methyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0535 |
| Compound Name: | 1-(2-chlorophenyl)-3-methyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 375.9 |
| Molecular Formula: | C17 H14 Cl N3 O S2 |
| Smiles: | Cc1c2C(c3cccs3)SCC(Nc2n(c2ccccc2[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7319 |
| logD: | 3.7317 |
| logSw: | -3.9481 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.14 |
| InChI Key: | DCZMIEQJTWQAJT-INIZCTEOSA-N |