3-hydroxy-4-phenyl-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
3-hydroxy-4-phenyl-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-hydroxy-4-phenyl-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
Compound ID: | 5545-0001 |
Compound Name: | 3-hydroxy-4-phenyl-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
Molecular Weight: | 303.38 |
Molecular Formula: | C15 H17 N3 O2 S |
Smiles: | CC(C)n1c2c(C(c3ccccc3)SCC(N2)=O)c(n1)O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.346 |
logD: | 1.7037 |
logSw: | -2.7663 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 56.409 |
InChI Key: | VYGMROBUFIPKMW-CYBMUJFWSA-N |