4-[4-(benzyloxy)phenyl]-3-hydroxy-1-(pentan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-[4-(benzyloxy)phenyl]-3-hydroxy-1-(pentan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-[4-(benzyloxy)phenyl]-3-hydroxy-1-(pentan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D068-0086 |
| Compound Name: | 4-[4-(benzyloxy)phenyl]-3-hydroxy-1-(pentan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C24 H27 N3 O3 S |
| Smiles: | CCCC(C)n1c2c(C(c3ccc(cc3)OCc3ccccc3)SCC(N2)=O)c(n1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6368 |
| logD: | 3.9946 |
| logSw: | -4.3939 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.222 |
| InChI Key: | JTCQHBAZHORCTE-UHFFFAOYSA-N |