1-cyclopentyl-3-hydroxy-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-cyclopentyl-3-hydroxy-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-cyclopentyl-3-hydroxy-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 8016-3310 |
| Compound Name: | 1-cyclopentyl-3-hydroxy-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C20 H23 N3 O3 S |
| Smiles: | C=CCOc1ccc(cc1)C1c2c(nn(C3CCCC3)c2NC(CS1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3105 |
| logD: | 2.6682 |
| logSw: | -3.4455 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.423 |
| InChI Key: | DEPCAVXQAMQFAQ-GOSISDBHSA-N |