methyl 4-{[6-({4-[chloro(difluoro)methoxy]phenyl}carbamoyl)-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[6-({4-[chloro(difluoro)methoxy]phenyl}carbamoyl)-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate
methyl 4-{[6-({4-[chloro(difluoro)methoxy]phenyl}carbamoyl)-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate
Compound characteristics
| Compound ID: | 8012-6029 |
| Compound Name: | methyl 4-{[6-({4-[chloro(difluoro)methoxy]phenyl}carbamoyl)-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate |
| Molecular Weight: | 497.9 |
| Molecular Formula: | C21 H18 Cl F2 N3 O5 S |
| Smiles: | CN1\C(=N/c2ccc(cc2)C(=O)OC)SC(CC1=O)C(Nc1ccc(cc1)OC(F)(F)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9568 |
| logD: | 3.9568 |
| logSw: | -4.523 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.847 |
| InChI Key: | KHKQCIFWWRTALX-INIZCTEOSA-N |