methyl 4-({8-chloro-1,1-dioxo-4-[(oxolan-2-yl)methyl]-7-(pyrrolidin-1-yl)-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl}oxy)benzoate
Chemical Structure Depiction of
methyl 4-({8-chloro-1,1-dioxo-4-[(oxolan-2-yl)methyl]-7-(pyrrolidin-1-yl)-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl}oxy)benzoate
methyl 4-({8-chloro-1,1-dioxo-4-[(oxolan-2-yl)methyl]-7-(pyrrolidin-1-yl)-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl}oxy)benzoate
Compound characteristics
| Compound ID: | 8610-0206 |
| Compound Name: | methyl 4-({8-chloro-1,1-dioxo-4-[(oxolan-2-yl)methyl]-7-(pyrrolidin-1-yl)-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl}oxy)benzoate |
| Molecular Weight: | 522.02 |
| Molecular Formula: | C24 H28 Cl N3 O6 S |
| Smiles: | COC(c1ccc(cc1)Oc1c2c(c(c(n1)N1CCCC1)[Cl])S(CCN2CC1CCCO1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9751 |
| logD: | 3.9751 |
| logSw: | -4.6039 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.185 |
| InChI Key: | UDPYJTIGELSKMJ-GOSISDBHSA-N |