4-{4-[(2-chlorophenyl)methoxy]phenyl}-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
4-{4-[(2-chlorophenyl)methoxy]phenyl}-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
4-{4-[(2-chlorophenyl)methoxy]phenyl}-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | 8019-6694 |
| Compound Name: | 4-{4-[(2-chlorophenyl)methoxy]phenyl}-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 563.1 |
| Molecular Formula: | C28 H23 Cl N4 O3 S2 |
| Smiles: | Cc1c2C(c3ccc(cc3)OCc3ccccc3[Cl])SCC(Nc2n(c2nc3ccc(cc3s2)OC)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5225 |
| logD: | 6.3657 |
| logSw: | -6.2167 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.729 |
| InChI Key: | UFROLIIBGAVXNV-AREMUKBSSA-N |