4-[1-(4-ethylphenyl)-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-[1-(4-ethylphenyl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoic acid
4-[1-(4-ethylphenyl)-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: | D361-1662 |
| Compound Name: | 4-[1-(4-ethylphenyl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoic acid |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | CCc1ccc(cc1)n1c2c(C(c3ccc(cc3)C(O)=O)SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3798 |
| logD: | 1.4083 |
| logSw: | -4.08 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.83 |
| InChI Key: | MHRCORQBAUODHZ-HXUWFJFHSA-N |