N-[2-(tert-butylcarbamoyl)phenyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-[2-(tert-butylcarbamoyl)phenyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-[2-(tert-butylcarbamoyl)phenyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0664 |
| Compound Name: | N-[2-(tert-butylcarbamoyl)phenyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 459.56 |
| Molecular Formula: | C23 H29 N3 O5 S |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(Nc1ccccc1C(NC(C)(C)C)=O)=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0548 |
| logD: | 3.0533 |
| logSw: | -3.6301 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.455 |
| InChI Key: | NORLSVZAKMSVPJ-HXUWFJFHSA-N |