ethyl 3-{4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamido}benzoate
Chemical Structure Depiction of
ethyl 3-{4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamido}benzoate
ethyl 3-{4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamido}benzoate
Compound characteristics
| Compound ID: | L461-0381 |
| Compound Name: | ethyl 3-{4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamido}benzoate |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C24 H27 N5 O4 S |
| Smiles: | CCOC(c1cccc(c1)NC(CCC(N1CCCN(CC1)c1nc2cccnc2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.248 |
| logD: | 3.2443 |
| logSw: | -3.4053 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.795 |
| InChI Key: | GNDGGGHEDLDZPU-UHFFFAOYSA-N |