N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-bromobenzamide
Chemical Structure Depiction of
N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-bromobenzamide
N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-bromobenzamide
Compound characteristics
| Compound ID: | 8007-3933 |
| Compound Name: | N-(2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-bromobenzamide |
| Molecular Weight: | 512.45 |
| Molecular Formula: | C23 H18 Br N3 O2 S2 |
| Smiles: | C(c1ccccc1)NC(CSc1nc2ccc(cc2s1)NC(c1ccccc1[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1302 |
| logD: | 5.125 |
| logSw: | -5.3133 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.611 |
| InChI Key: | GXQOKKPZLSOTCH-UHFFFAOYSA-N |