N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C308-0013 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 568.67 |
| Molecular Formula: | C33 H29 F N2 O4 S |
| Smiles: | COc1ccc(CCNC(c2ccc(/C=C3/C(N(Cc4ccccc4F)c4ccccc4S3)=O)cc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.7328 |
| logD: | 5.7328 |
| logSw: | -5.4582 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.585 |
| InChI Key: | SOXVHMQLPFPCGP-UHFFFAOYSA-N |