N-[4-(adamantan-1-yl)phenyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-[4-(adamantan-1-yl)phenyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-[4-(adamantan-1-yl)phenyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0133 |
| Compound Name: | N-[4-(adamantan-1-yl)phenyl]-5-(methanesulfonyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 480.63 |
| Molecular Formula: | C27 H32 N2 O4 S |
| Smiles: | CS(N1CCC(C(Nc2ccc(cc2)C23CC4CC(CC(C4)C3)C2)=O)Oc2ccccc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5255 |
| logD: | 5.5255 |
| logSw: | -5.5838 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.406 |
| InChI Key: | VOFAUVHXXVZMKE-GUMMOOENSA-N |