2-[(5,6-dihydro-4H-1,3-thiazin-2-yl)(4-methoxyphenyl)amino]-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
Chemical Structure Depiction of
2-[(5,6-dihydro-4H-1,3-thiazin-2-yl)(4-methoxyphenyl)amino]-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
2-[(5,6-dihydro-4H-1,3-thiazin-2-yl)(4-methoxyphenyl)amino]-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1)
Compound characteristics
Compound ID: | 8017-8930 |
Compound Name: | 2-[(5,6-dihydro-4H-1,3-thiazin-2-yl)(4-methoxyphenyl)amino]-1-(4-nitrophenyl)ethan-1-one--hydrogen bromide (1/1) |
Molecular Weight: | 466.35 |
Molecular Formula: | C19 H19 N3 O4 S |
Salt: | HBr |
Smiles: | COc1ccc(cc1)N(CC(c1ccc(cc1)[N+]([O-])=O)=O)C1=NCCCS1 |
Stereo: | ACHIRAL |
logP: | 4.0361 |
logD: | 2.8988 |
logSw: | -4.0761 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 65.077 |
InChI Key: | CUIBGPMNSCIXCX-UHFFFAOYSA-N |