N-(4-bromophenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
Chemical Structure Depiction of
N-(4-bromophenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
N-(4-bromophenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
Compound characteristics
| Compound ID: | L461-0474 |
| Compound Name: | N-(4-bromophenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide |
| Molecular Weight: | 488.4 |
| Molecular Formula: | C21 H22 Br N5 O2 S |
| Smiles: | C1CN(CCN(C1)c1nc2cccnc2s1)C(CCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2999 |
| logD: | 3.296 |
| logSw: | -3.5704 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.041 |
| InChI Key: | UYFKPDIYJFNNLA-UHFFFAOYSA-N |