N-[3-(methylsulfanyl)phenyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
N-[3-(methylsulfanyl)phenyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
Compound characteristics
| Compound ID: | L461-0429 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C22 H25 N5 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(CCC(N1CCCN(CC1)c1nc2cccnc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.927 |
| logD: | 2.9232 |
| logSw: | -3.3694 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.041 |
| InChI Key: | MZUGPXPLYNFDNA-UHFFFAOYSA-N |