3-hydroxy-1-(propan-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-(propan-2-yl)-4-(4-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
3-hydroxy-1-(propan-2-yl)-4-(4-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D066-0037 |
| Compound Name: | 3-hydroxy-1-(propan-2-yl)-4-(4-propoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C18 H23 N3 O3 S |
| Smiles: | CCCOc1ccc(cc1)C1c2c(nn(C(C)C)c2NC(CS1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3011 |
| logD: | 2.6588 |
| logSw: | -3.4006 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.827 |
| InChI Key: | SPGOCVIMUAHYKV-MRXNPFEDSA-N |