8-chloro-2-methyl-5-[4-(propan-2-yl)benzene-1-sulfonyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Chemical Structure Depiction of
8-chloro-2-methyl-5-[4-(propan-2-yl)benzene-1-sulfonyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
8-chloro-2-methyl-5-[4-(propan-2-yl)benzene-1-sulfonyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Compound characteristics
| Compound ID: | C917-0209 |
| Compound Name: | 8-chloro-2-methyl-5-[4-(propan-2-yl)benzene-1-sulfonyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one |
| Molecular Weight: | 419.93 |
| Molecular Formula: | C21 H22 Cl N O4 S |
| Smiles: | CC(C)c1ccc(cc1)S(C1C2CC(C)(NC1=O)Oc1ccc(cc12)[Cl])(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5042 |
| logD: | 4.504 |
| logSw: | -4.9257 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.026 |
| InChI Key: | NGVYGLNZOVMMNK-UHFFFAOYSA-N |