4-{[3-butyl-2-(butylimino)-4-oxo-1,3-thiazinane-6-carbonyl]amino}benzoic acid
Chemical Structure Depiction of
4-{[3-butyl-2-(butylimino)-4-oxo-1,3-thiazinane-6-carbonyl]amino}benzoic acid
4-{[3-butyl-2-(butylimino)-4-oxo-1,3-thiazinane-6-carbonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 8014-8482 |
| Compound Name: | 4-{[3-butyl-2-(butylimino)-4-oxo-1,3-thiazinane-6-carbonyl]amino}benzoic acid |
| Molecular Weight: | 405.51 |
| Molecular Formula: | C20 H27 N3 O4 S |
| Smiles: | CCCC/N=C1\N(CCCC)C(CC(C(Nc2ccc(cc2)C(O)=O)=O)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2341 |
| logD: | 1.8389 |
| logSw: | -3.8431 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.428 |
| InChI Key: | LOPZJXMMEIYOHN-INIZCTEOSA-N |