3-hydroxy-4-(2-methoxyphenyl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-hydroxy-4-(2-methoxyphenyl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-hydroxy-4-(2-methoxyphenyl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D068-0059 |
| Compound Name: | 3-hydroxy-4-(2-methoxyphenyl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 333.41 |
| Molecular Formula: | C16 H19 N3 O3 S |
| Smiles: | CC(C)n1c2c(C(c3ccccc3OC)SCC(N2)=O)c(n1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4183 |
| logD: | 1.776 |
| logSw: | -2.7642 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.04 |
| InChI Key: | MKNYBJXAGNOYGR-CQSZACIVSA-N |