2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-{[5-(4-methylpiperidine-1-sulfonyl)thiophen-2-yl]methyl}acetamide
Chemical Structure Depiction of
2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-{[5-(4-methylpiperidine-1-sulfonyl)thiophen-2-yl]methyl}acetamide
2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-{[5-(4-methylpiperidine-1-sulfonyl)thiophen-2-yl]methyl}acetamide
Compound characteristics
| Compound ID: | L470-0413 |
| Compound Name: | 2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-{[5-(4-methylpiperidine-1-sulfonyl)thiophen-2-yl]methyl}acetamide |
| Molecular Weight: | 498.02 |
| Molecular Formula: | C21 H24 Cl N3 O5 S2 |
| Smiles: | CC1CCN(CC1)S(c1ccc(CNC(CN2C(COc3ccc(cc23)[Cl])=O)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1616 |
| logD: | 3.1616 |
| logSw: | -3.5484 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.269 |
| InChI Key: | MVOIHKNZOUAVMW-UHFFFAOYSA-N |