3-hydroxy-1-(pentan-2-yl)-4-(4-propoxyphenyl)-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-(4-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-hydroxy-1-(pentan-2-yl)-4-(4-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D066-0062 |
| Compound Name: | 3-hydroxy-1-(pentan-2-yl)-4-(4-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 389.52 |
| Molecular Formula: | C20 H27 N3 O3 S |
| Smiles: | CCCC(C)n1c2c(C(c3ccc(cc3)OCCC)SCC(N2)=O)c(n1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1819 |
| logD: | 3.5396 |
| logSw: | -3.9177 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.412 |
| InChI Key: | MGMDGDIJTYZASL-UHFFFAOYSA-N |