4-{[rel-(4aR,8aS)-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazin-6(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[rel-(4aR,8aS)-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazin-6(2H)-yl]methyl}benzonitrile
4-{[rel-(4aR,8aS)-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazin-6(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S808-0217 |
| Compound Name: | 4-{[rel-(4aR,8aS)-1-(2-methoxyethyl)-4a-(morpholine-4-carbonyl)-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazin-6(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 476.59 |
| Molecular Formula: | C23 H32 N4 O5 S |
| Smiles: | [H][C@@]12CCN(Cc3ccc(C#N)cc3)C[C@]1(CCS(N2CCOC)(=O)=O)C(N1CCOCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2068 |
| logD: | 0.1515 |
| logSw: | -1.9843 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.397 |
| InChI Key: | FUEQEKDSBDLRFG-GGAORHGYSA-N |