1-[7-(2,3-dihydro-4H-1,4-benzothiazine-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-benzothiazine-4-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
1-[7-(2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | G269-0226 |
| Compound Name: | 1-[7-(2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one |
| Molecular Weight: | 420.57 |
| Molecular Formula: | C19 H20 N2 O3 S3 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(N1CCSc2ccccc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2936 |
| logD: | 3.2936 |
| logSw: | -3.7971 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.774 |
| InChI Key: | BVYWHKGJMWSRRL-UHFFFAOYSA-N |