methyl 4-(3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoate
methyl 4-(3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoate
Compound characteristics
| Compound ID: | D361-2642 |
| Compound Name: | methyl 4-(3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoate |
| Molecular Weight: | 317.36 |
| Molecular Formula: | C15 H15 N3 O3 S |
| Smiles: | Cc1c2C(c3ccc(cc3)C(=O)OC)SCC(Nc2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1047 |
| logD: | 2.1044 |
| logSw: | -2.6366 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.207 |
| InChI Key: | GBZZJKXJDYXUGN-CYBMUJFWSA-N |