1-cyclohexyl-3-hydroxy-4-(4-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-cyclohexyl-3-hydroxy-4-(4-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-cyclohexyl-3-hydroxy-4-(4-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D066-0047 |
| Compound Name: | 1-cyclohexyl-3-hydroxy-4-(4-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C21 H27 N3 O3 S |
| Smiles: | CCCOc1ccc(cc1)C1c2c(nn(C3CCCCC3)c2NC(CS1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2494 |
| logD: | 3.6071 |
| logSw: | -3.9119 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.057 |
| InChI Key: | LGECLPZRJKGRQL-LJQANCHMSA-N |