1-(pyrrolidin-1-yl)-3-[4-(thiophene-2-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
Chemical Structure Depiction of
1-(pyrrolidin-1-yl)-3-[4-(thiophene-2-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
1-(pyrrolidin-1-yl)-3-[4-(thiophene-2-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one
Compound characteristics
| Compound ID: | S629-2526 |
| Compound Name: | 1-(pyrrolidin-1-yl)-3-[4-(thiophene-2-sulfonyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]propan-1-one |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C20 H24 N2 O4 S2 |
| Smiles: | C1CCN(C1)C(CCc1ccc2c(CN(CCO2)S(c2cccs2)(=O)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.977 |
| logD: | 2.977 |
| logSw: | -3.3127 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.399 |
| InChI Key: | MRPKHTHQBULAHU-UHFFFAOYSA-N |