2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide
Chemical Structure Depiction of
2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide
2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide
Compound characteristics
| Compound ID: | D026-0053 |
| Compound Name: | 2-[(1,3-benzothiazol-2-yl)sulfanyl]-N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide |
| Molecular Weight: | 505.48 |
| Molecular Formula: | C20 H17 Br N4 O S3 |
| Smiles: | CCC(C(NC1=NN=C(CS1)c1ccc(cc1)[Br])=O)Sc1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6626 |
| logD: | 6.662 |
| logSw: | -5.7844 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.094 |
| InChI Key: | XYIKRTAIYBBDAP-INIZCTEOSA-N |