4-(3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoic acid
Chemical Structure Depiction of
4-(3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoic acid
4-(3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoic acid
Compound characteristics
| Compound ID: | D361-2643 |
| Compound Name: | 4-(3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl)benzoic acid |
| Molecular Weight: | 303.34 |
| Molecular Formula: | C14 H13 N3 O3 S |
| Smiles: | Cc1c2C(c3ccc(cc3)C(O)=O)SCC(Nc2[nH]n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8622 |
| logD: | -1.1093 |
| logSw: | -2.4086 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.441 |
| InChI Key: | AXXQHKNPESQZIY-GFCCVEGCSA-N |