N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
Compound characteristics
| Compound ID: | L461-0397 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide |
| Molecular Weight: | 467.55 |
| Molecular Formula: | C23 H25 N5 O4 S |
| Smiles: | C1CN(CCN(C1)c1nc2cccnc2s1)C(CCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0794 |
| logD: | 2.0757 |
| logSw: | -2.8086 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.479 |
| InChI Key: | HNEBNLBRKDOPTR-UHFFFAOYSA-N |