1-{[4-(azepane-1-carbonyl)phenyl]methyl}-1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one
Chemical Structure Depiction of
1-{[4-(azepane-1-carbonyl)phenyl]methyl}-1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one
1-{[4-(azepane-1-carbonyl)phenyl]methyl}-1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one
Compound characteristics
| Compound ID: | E772-0244 |
| Compound Name: | 1-{[4-(azepane-1-carbonyl)phenyl]methyl}-1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | C1CCCN(CC1)C(c1ccc(CN2C(CSc3c2cccn3)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.909 |
| logD: | 2.909 |
| logSw: | -3.2789 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.651 |
| InChI Key: | WNGRGRCQLAKQFI-UHFFFAOYSA-N |