methyl 3-{[2-(thiomorpholine-4-carbonyl)phenyl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 3-{[2-(thiomorpholine-4-carbonyl)phenyl]carbamamido}benzoate
methyl 3-{[2-(thiomorpholine-4-carbonyl)phenyl]carbamamido}benzoate
Compound characteristics
| Compound ID: | Y043-7675 |
| Compound Name: | methyl 3-{[2-(thiomorpholine-4-carbonyl)phenyl]carbamamido}benzoate |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Smiles: | COC(c1cccc(c1)NC(Nc1ccccc1C(N1CCSCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3647 |
| logD: | 3.3644 |
| logSw: | -3.6988 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.666 |
| InChI Key: | NWRFJARALHHGQW-UHFFFAOYSA-N |