4-(4-butoxyphenyl)-3-hydroxy-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(4-butoxyphenyl)-3-hydroxy-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(4-butoxyphenyl)-3-hydroxy-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D066-0070 |
| Compound Name: | 4-(4-butoxyphenyl)-3-hydroxy-1-(pentan-3-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C21 H29 N3 O3 S |
| Smiles: | CCCCOc1ccc(cc1)C1c2c(nn(C(CC)CC)c2NC(CS1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5629 |
| logD: | 3.9206 |
| logSw: | -4.0898 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.996 |
| InChI Key: | HLZIIJNVFRWBEV-LJQANCHMSA-N |