methyl 2-[(3-chloro-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-[(3-chloro-4-fluorophenyl)imino]-4-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
methyl 2-[(3-chloro-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: | C636-2186 |
| Compound Name: | methyl 2-[(3-chloro-4-fluorophenyl)imino]-4-oxo-3-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate |
| Molecular Weight: | 487.94 |
| Molecular Formula: | C23 H19 Cl F N3 O4 S |
| Smiles: | COC(C1=CC(N(Cc2ccc(cc2)N2CCCC2=O)/C(=N/c2ccc(c(c2)[Cl])F)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3251 |
| logD: | 4.3251 |
| logSw: | -4.5279 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.038 |
| InChI Key: | QFRCNNATZUHSQO-UHFFFAOYSA-N |