3-methyl-1-(2-methylphenyl)-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-methyl-1-(2-methylphenyl)-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-methyl-1-(2-methylphenyl)-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2522 |
| Compound Name: | 3-methyl-1-(2-methylphenyl)-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 355.48 |
| Molecular Formula: | C18 H17 N3 O S2 |
| Smiles: | Cc1ccccc1n1c2c(C(c3cccs3)SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7002 |
| logD: | 3.7001 |
| logSw: | -3.983 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.14 |
| InChI Key: | YUUIVQPJDJITLN-KRWDZBQOSA-N |