N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8007-5638 |
| Compound Name: | N-(2-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 498.42 |
| Molecular Formula: | C22 H16 Br N3 O2 S2 |
| Smiles: | C(C(Nc1ccc(cc1)[Br])=O)Sc1nc2ccc(cc2s1)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8684 |
| logD: | 5.8678 |
| logSw: | -5.8801 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.289 |
| InChI Key: | MBIMAODQNXWCOA-UHFFFAOYSA-N |