N-[(2-methoxyphenyl)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-[(2-methoxyphenyl)methyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
N-[(2-methoxyphenyl)methyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
Compound characteristics
| Compound ID: | L461-0433 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | COc1ccccc1CNC(CCC(N1CCCN(CC1)c1nc2cccnc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3876 |
| logD: | 2.3839 |
| logSw: | -2.6034 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.994 |
| InChI Key: | IGGGIBJEAWRCTP-UHFFFAOYSA-N |