N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Chemical Structure Depiction of
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide
Compound characteristics
| Compound ID: | S629-0999 |
| Compound Name: | N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanamide |
| Molecular Weight: | 421.51 |
| Molecular Formula: | C20 H27 N3 O5 S |
| Smiles: | Cc1c(CCNC(CCc2ccc3c(CN(CCO3)S(C)(=O)=O)c2)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 1.3361 |
| logD: | 1.3361 |
| logSw: | -2.5541 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.737 |
| InChI Key: | BUHOQIPUCPYXPZ-UHFFFAOYSA-N |