4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(4-methoxyphenyl)methyl]amino}phenyl 4-(piperidine-1-sulfonyl)benzoate
Chemical Structure Depiction of
4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(4-methoxyphenyl)methyl]amino}phenyl 4-(piperidine-1-sulfonyl)benzoate
4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(4-methoxyphenyl)methyl]amino}phenyl 4-(piperidine-1-sulfonyl)benzoate
Compound characteristics
| Compound ID: | 5941-1345 |
| Compound Name: | 4-{(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)[(4-methoxyphenyl)methyl]amino}phenyl 4-(piperidine-1-sulfonyl)benzoate |
| Molecular Weight: | 645.75 |
| Molecular Formula: | C33 H31 N3 O7 S2 |
| Smiles: | COc1ccc(CN(C2c3ccccc3S(N=2)(=O)=O)c2ccc(cc2)OC(c2ccc(cc2)S(N2CCCCC2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3761 |
| logD: | 5.3761 |
| logSw: | -5.2175 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 101.466 |
| InChI Key: | QDEIDVSAQOVPMH-UHFFFAOYSA-N |