N-[(furan-2-yl)methyl]-N-[1-(3-methoxyphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-N-[1-(3-methoxyphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[(furan-2-yl)methyl]-N-[1-(3-methoxyphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D092-0090 |
| Compound Name: | N-[(furan-2-yl)methyl]-N-[1-(3-methoxyphenyl)-2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 567.62 |
| Molecular Formula: | C28 H29 N3 O8 S |
| Smiles: | COc1cccc(c1)C(C(NCC1CCCO1)=O)N(Cc1ccco1)C(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6996 |
| logD: | 1.6996 |
| logSw: | -2.7885 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.212 |
| InChI Key: | KZLMPSIYXALDMI-UHFFFAOYSA-N |