3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanoic acid
Chemical Structure Depiction of
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanoic acid
3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanoic acid
Compound characteristics
| Compound ID: | S629-0005 |
| Compound Name: | 3-[4-(methanesulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propanoic acid |
| Molecular Weight: | 299.34 |
| Molecular Formula: | C13 H17 N O5 S |
| Smiles: | CS(N1CCOc2ccc(CCC(O)=O)cc2C1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1004 |
| logD: | -1.7006 |
| logSw: | -2.2361 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.041 |
| InChI Key: | UJACEHKKISBJMC-UHFFFAOYSA-N |