4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 8020-0276 |
| Compound Name: | 4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 319.34 |
| Molecular Formula: | C14 H13 N3 O4 S |
| Smiles: | COc1cc(cc2c1OCO2)C1c2cn[nH]c2NC(CS1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6703 |
| logD: | 1.6703 |
| logSw: | -2.5248 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.816 |
| InChI Key: | YOOIVTTXWMOVQH-CYBMUJFWSA-N |