1-[7-(2-methyl-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-methyl-2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
1-[7-(2-methyl-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: | G269-0225 |
| Compound Name: | 1-[7-(2-methyl-2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one |
| Molecular Weight: | 434.6 |
| Molecular Formula: | C20 H22 N2 O3 S3 |
| Smiles: | CC1CN(c2ccccc2S1)S(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8175 |
| logD: | 3.8175 |
| logSw: | -3.9017 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.708 |
| InChI Key: | PXACGAGRAPQISJ-CQSZACIVSA-N |