rel-(8aR,12aS)-1-(methanesulfonyl)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]dodecahydro-1,4,7-benzotriazecin-8(1H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-1-(methanesulfonyl)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]dodecahydro-1,4,7-benzotriazecin-8(1H)-one
rel-(8aR,12aS)-1-(methanesulfonyl)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]dodecahydro-1,4,7-benzotriazecin-8(1H)-one
Compound characteristics
| Compound ID: | SB83-0711 |
| Compound Name: | rel-(8aR,12aS)-1-(methanesulfonyl)-4-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]dodecahydro-1,4,7-benzotriazecin-8(1H)-one |
| Molecular Weight: | 442.53 |
| Molecular Formula: | C19 H30 N4 O6 S |
| Smiles: | Cc1c(COC)c(C(N2CCNC([C@H]3CCCC[C@H]3N(CC2)S(C)(=O)=O)=O)=O)no1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2052 |
| logD: | -0.2052 |
| logSw: | -2.0977 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.223 |
| InChI Key: | ZQOGXIPENZRAJW-ZBFHGGJFSA-N |