N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-9579 |
| Compound Name: | N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-4-({4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 612.81 |
| Molecular Formula: | C36 H41 F N4 O2 S |
| Smiles: | C1CCC(CC1)N1CCN(CCCNC(c2ccc(\C=C3/C(N(Cc4ccccc4F)c4ccccc4S3)=O)cc2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 6.23 |
| logD: | 5.3197 |
| logSw: | -5.7633 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.4 |
| InChI Key: | LAAYHHIWDDLMCX-UHFFFAOYSA-N |