7-(6-chloro-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-(6-chloro-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-(6-chloro-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G115-0101 |
| Compound Name: | 7-(6-chloro-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 410.9 |
| Molecular Formula: | C17 H15 Cl N2 O4 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(N1CCOc2ccc(cc12)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8806 |
| logD: | 2.8804 |
| logSw: | -3.5732 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.494 |
| InChI Key: | SUCIZFKOPWIRRG-UHFFFAOYSA-N |