4-(4-butoxyphenyl)-1-cyclohexyl-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-butoxyphenyl)-1-cyclohexyl-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-butoxyphenyl)-1-cyclohexyl-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 5545-0081 |
| Compound Name: | 4-(4-butoxyphenyl)-1-cyclohexyl-3-hydroxy-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 415.55 |
| Molecular Formula: | C22 H29 N3 O3 S |
| Smiles: | CCCCOc1ccc(cc1)C1c2c(nn(C3CCCCC3)c2NC(CS1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7224 |
| logD: | 4.0801 |
| logSw: | -4.2283 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.057 |
| InChI Key: | BYWBJRZLPVMPJX-HXUWFJFHSA-N |