2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)-N-(pentan-3-yl)acetamide
Chemical Structure Depiction of
2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)-N-(pentan-3-yl)acetamide
2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)-N-(pentan-3-yl)acetamide
Compound characteristics
| Compound ID: | V005-2321 |
| Compound Name: | 2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)-N-(pentan-3-yl)acetamide |
| Molecular Weight: | 324.83 |
| Molecular Formula: | C15 H17 Cl N2 O2 S |
| Smiles: | CCC(CC)NC(\C=C1/C(Nc2cc(ccc2S1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2523 |
| logD: | 4.2515 |
| logSw: | -4.4179 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.496 |
| InChI Key: | SRSQFKMKXWNUQI-UHFFFAOYSA-N |