N-[2-(dipropylamino)ethyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide--oxalic acid (1/1)
Chemical Structure Depiction of
N-[2-(dipropylamino)ethyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide--oxalic acid (1/1)
N-[2-(dipropylamino)ethyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide--oxalic acid (1/1)
Compound characteristics
| Compound ID: | K788-9139 |
| Compound Name: | N-[2-(dipropylamino)ethyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide--oxalic acid (1/1) |
| Molecular Weight: | 617.76 |
| Molecular Formula: | C32 H37 N3 O2 S |
| Salt: | HOOCCOOH |
| Smiles: | CCCN(CCC)CCNC(c1ccc(\C=C2/C(N(Cc3cccc(C)c3)c3ccccc3S2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7748 |
| logD: | 5.6265 |
| logSw: | -5.5659 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.514 |
| InChI Key: | DAIZMNHPGARFCZ-JBASAIQMSA-N |