3-(4-chlorophenyl)-1-phenyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-1-phenyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-(4-chlorophenyl)-1-phenyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0548 |
| Compound Name: | 3-(4-chlorophenyl)-1-phenyl-4-(thiophen-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 437.97 |
| Molecular Formula: | C22 H16 Cl N3 O S2 |
| Smiles: | C1C(Nc2c(C(c3ccsc3)S1)c(c1ccc(cc1)[Cl])nn2c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.283 |
| logD: | 5.283 |
| logSw: | -6.1145 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.363 |
| InChI Key: | NOGNGIIZJJUNSO-NRFANRHFSA-N |