1-(butan-2-yl)-3-hydroxy-4-(2-propoxyphenyl)-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-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(butan-2-yl)-3-hydroxy-4-(2-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D068-0072 |
| Compound Name: | 1-(butan-2-yl)-3-hydroxy-4-(2-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C19 H25 N3 O3 S |
| Smiles: | CCCOc1ccccc1C1c2c(nn(C(C)CC)c2NC(CS1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.941 |
| logD: | 3.2987 |
| logSw: | -3.883 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.498 |
| InChI Key: | DMEDOSBUNUBGRY-UHFFFAOYSA-N |