methyl 2-[(4-fluorophenyl)imino]-4-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
Chemical Structure Depiction of
methyl 2-[(4-fluorophenyl)imino]-4-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
methyl 2-[(4-fluorophenyl)imino]-4-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
Compound characteristics
| Compound ID: | C636-2222 |
| Compound Name: | methyl 2-[(4-fluorophenyl)imino]-4-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate |
| Molecular Weight: | 453.49 |
| Molecular Formula: | C23 H20 F N3 O4 S |
| Smiles: | COC(C1=CC(N(Cc2ccc(cc2)N2CCCC2=O)/C(=N/c2ccc(cc2)F)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5795 |
| logD: | 3.5793 |
| logSw: | -3.7492 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.038 |
| InChI Key: | MQZVBFJJUWTJHQ-UHFFFAOYSA-N |