4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]phenyl 4-methylbenzoate
Chemical Structure Depiction of
4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]phenyl 4-methylbenzoate
4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]phenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 8007-7617 |
| Compound Name: | 4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]phenyl 4-methylbenzoate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C22 H18 N2 O4 S |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1ccc(cc1)N(C)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6415 |
| logD: | 3.6415 |
| logSw: | -3.97 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.229 |
| InChI Key: | VMHNIOXEDCCGEB-UHFFFAOYSA-N |