5-(methanesulfonyl)-7-methyl-N-{4-[(prop-2-en-1-yl)oxy]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Chemical Structure Depiction of
5-(methanesulfonyl)-7-methyl-N-{4-[(prop-2-en-1-yl)oxy]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
5-(methanesulfonyl)-7-methyl-N-{4-[(prop-2-en-1-yl)oxy]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide
Compound characteristics
| Compound ID: | J098-0659 |
| Compound Name: | 5-(methanesulfonyl)-7-methyl-N-{4-[(prop-2-en-1-yl)oxy]phenyl}-2,3,4,5-tetrahydro-1,5-benzoxazepine-2-carboxamide |
| Molecular Weight: | 416.49 |
| Molecular Formula: | C21 H24 N2 O5 S |
| Smiles: | Cc1ccc2c(c1)N(CCC(C(Nc1ccc(cc1)OCC=C)=O)O2)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2896 |
| logD: | 3.2895 |
| logSw: | -3.6554 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.062 |
| InChI Key: | KDXAUFNHLPXYDX-HXUWFJFHSA-N |