methyl 4-[1-(6-methoxy-1,3-benzothiazol-2-yl)-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-[1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoate
methyl 4-[1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoate
Compound characteristics
| Compound ID: | 8019-8436 |
| Compound Name: | methyl 4-[1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-7-oxo-4,6,7,8-tetrahydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoate |
| Molecular Weight: | 480.56 |
| Molecular Formula: | C23 H20 N4 O4 S2 |
| Smiles: | Cc1c2C(c3ccc(cc3)C(=O)OC)SCC(Nc2n(c2nc3ccc(cc3s2)OC)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7241 |
| logD: | 4.5673 |
| logSw: | -4.5995 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.675 |
| InChI Key: | IBAHTIXBQFAHCY-HXUWFJFHSA-N |