N-(3-chloro-4-methylphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
N-(3-chloro-4-methylphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
Compound characteristics
| Compound ID: | L461-0403 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide |
| Molecular Weight: | 457.98 |
| Molecular Formula: | C22 H24 Cl N5 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CCC(N1CCCN(CC1)c1nc2cccnc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8562 |
| logD: | 3.8521 |
| logSw: | -4.1041 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.041 |
| InChI Key: | MNDFZAWWEACKMY-UHFFFAOYSA-N |