7-(2-methyl-2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-(2-methyl-2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-(2-methyl-2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G115-0105 |
| Compound Name: | 7-(2-methyl-2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 406.54 |
| Molecular Formula: | C18 H18 N2 O3 S3 |
| Smiles: | CC1CN(c2ccccc2S1)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0617 |
| logD: | 3.0615 |
| logSw: | -3.658 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.476 |
| InChI Key: | KHFUHLWZELHORQ-GFCCVEGCSA-N |