N-[2-(cyclohex-1-en-1-yl)ethyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0605 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-5-(methanesulfonyl)-7-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C20 H28 N2 O4 S |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(NCCC1CCCCC=1)=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8177 |
| logD: | 2.8177 |
| logSw: | -3.4482 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63 |
| InChI Key: | WVNUQIPQEAQLOF-LJQANCHMSA-N |