N-(2,5-dimethoxyphenyl)-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-(2,5-dimethoxyphenyl)-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0557 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 420.48 |
| Molecular Formula: | C20 H24 N2 O6 S |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(Nc1cc(ccc1OC)OC)=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7384 |
| logD: | 2.7367 |
| logSw: | -3.4144 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.12 |
| InChI Key: | WCHXYGMOPFEBAM-LJQANCHMSA-N |