1-(butan-2-yl)-3-hydroxy-4-(2-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(butan-2-yl)-3-hydroxy-4-(2-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(butan-2-yl)-3-hydroxy-4-(2-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D068-0068 |
| Compound Name: | 1-(butan-2-yl)-3-hydroxy-4-(2-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 347.43 |
| Molecular Formula: | C17 H21 N3 O3 S |
| Smiles: | CCC(C)n1c2c(C(c3ccccc3OC)SCC(N2)=O)c(n1)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8536 |
| logD: | 2.2114 |
| logSw: | -3.3876 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.624 |
| InChI Key: | SFDRUSLZKZRGIW-UHFFFAOYSA-N |