3-hydroxy-1-(pentan-2-yl)-4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-hydroxy-1-(pentan-2-yl)-4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-hydroxy-1-(pentan-2-yl)-4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D066-0055 |
| Compound Name: | 3-hydroxy-1-(pentan-2-yl)-4-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 331.43 |
| Molecular Formula: | C17 H21 N3 O2 S |
| Smiles: | CCCC(C)n1c2c(C(c3ccccc3)SCC(N2)=O)c(n1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2268 |
| logD: | 2.5845 |
| logSw: | -3.4428 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.994 |
| InChI Key: | DCIRBJLVXMMCBR-UHFFFAOYSA-N |