5-(methanesulfonyl)-7-methyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
5-(methanesulfonyl)-7-methyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
5-(methanesulfonyl)-7-methyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0497 |
| Compound Name: | 5-(methanesulfonyl)-7-methyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(Nc1ccccc1C(N1CCCC1)=O)=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7639 |
| logD: | 2.7586 |
| logSw: | -3.5625 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.961 |
| InChI Key: | GISJXUACHGSSGR-OAQYLSRUSA-N |