1-(3-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-(3-chlorophenyl)-3-methyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(3-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: | D361-1542 |
| Compound Name: | 1-(3-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(c2cccc(c2)[Cl])n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8047 |
| logD: | 3.8044 |
| logSw: | -4.21 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.441 |
| InChI Key: | CVBMWYQHZFHRGT-INIZCTEOSA-N |