2-[benzyl(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 4-methylbenzoate
Chemical Structure Depiction of
2-[benzyl(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 4-methylbenzoate
2-[benzyl(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 8010-3239 |
| Compound Name: | 2-[benzyl(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethyl 4-methylbenzoate |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C24 H22 N2 O4 S |
| Smiles: | Cc1ccc(cc1)C(=O)OCCN(Cc1ccccc1)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6943 |
| logD: | 4.6943 |
| logSw: | -4.4433 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.448 |
| InChI Key: | VBQCGUBZPNCRCK-UHFFFAOYSA-N |