N-(2-ethyl-6-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-(2-ethyl-6-methylphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
N-(2-ethyl-6-methylphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
Compound characteristics
| Compound ID: | L461-0432 |
| Compound Name: | N-(2-ethyl-6-methylphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C24 H29 N5 O2 S |
| Smiles: | CCc1cccc(C)c1NC(CCC(N1CCCN(CC1)c1nc2cccnc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1347 |
| logD: | 3.131 |
| logSw: | -3.0163 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.646 |
| InChI Key: | ITXPQFANIIGBIJ-UHFFFAOYSA-N |