methyl 2-{4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamido}benzoate
Chemical Structure Depiction of
methyl 2-{4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamido}benzoate
methyl 2-{4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamido}benzoate
Compound characteristics
| Compound ID: | L461-0391 |
| Compound Name: | methyl 2-{4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamido}benzoate |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C23 H25 N5 O4 S |
| Smiles: | COC(c1ccccc1NC(CCC(N1CCCN(CC1)c1nc2cccnc2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1906 |
| logD: | 2.1568 |
| logSw: | -2.9005 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.517 |
| InChI Key: | BNCKKWGWRVTUOY-UHFFFAOYSA-N |