1-[7-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[7-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
1-[7-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | G269-0224 |
| Compound Name: | 1-[7-(2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C19 H20 N2 O4 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(N1CCOc2ccccc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0543 |
| logD: | 3.0543 |
| logSw: | -3.5144 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.725 |
| InChI Key: | YVVPBOUXMDHBQT-UHFFFAOYSA-N |