1-[7-(6-acetyl-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-(6-acetyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
1-[7-(6-acetyl-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: | G269-0231 |
| Compound Name: | 1-[7-(6-acetyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one |
| Molecular Weight: | 446.54 |
| Molecular Formula: | C21 H22 N2 O5 S2 |
| Smiles: | CC(c1ccc2c(c1)N(CCO2)S(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5882 |
| logD: | 2.5882 |
| logSw: | -2.9607 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.552 |
| InChI Key: | WIAAOFZTOMQJRO-UHFFFAOYSA-N |