1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4-[4-(pentyloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4-[4-(pentyloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4-[4-(pentyloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 5545-0103 |
| Compound Name: | 1-(2,2-dimethyloxan-4-yl)-3-hydroxy-4-[4-(pentyloxy)phenyl]-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C24 H33 N3 O4 S |
| Smiles: | CCCCCOc1ccc(cc1)C1c2c(nn(C3CCOC(C)(C)C3)c2NC(CS1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5746 |
| logD: | 3.9323 |
| logSw: | -4.0754 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.256 |
| InChI Key: | ZKUFTSCAMYBVJH-UHFFFAOYSA-N |