4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]-2-[(piperidin-1-yl)methyl]phenyl 4-methylbenzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]-2-[(piperidin-1-yl)methyl]phenyl 4-methylbenzoate--hydrogen chloride (1/1)
4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]-2-[(piperidin-1-yl)methyl]phenyl 4-methylbenzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8009-3075 |
| Compound Name: | 4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]-2-[(piperidin-1-yl)methyl]phenyl 4-methylbenzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 526.05 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1ccc(cc1CN1CCCCC1)NC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4166 |
| logD: | 2.9755 |
| logSw: | -4.1407 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.041 |
| InChI Key: | NDKAUZRJEQJDDE-UHFFFAOYSA-N |