1-[7-(2-ethyl-6-methyl-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-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
1-[7-(2-ethyl-6-methyl-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: | G269-0354 |
| Compound Name: | 1-[7-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C22 H26 N2 O4 S2 |
| Smiles: | CCC1CN(c2cc(C)ccc2O1)S(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1887 |
| logD: | 4.1887 |
| logSw: | -4.2087 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.017 |
| InChI Key: | NNNFXEXSBBKKNF-QGZVFWFLSA-N |