1-[7-(2-ethyl-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-ethyl-2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
1-[7-(2-ethyl-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: | G269-0228 |
| Compound Name: | 1-[7-(2-ethyl-2,3-dihydro-4H-1,4-benzothiazine-4-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one |
| Molecular Weight: | 448.62 |
| Molecular Formula: | C21 H24 N2 O3 S3 |
| Smiles: | CCC1CN(c2ccccc2S1)S(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4723 |
| logD: | 4.4723 |
| logSw: | -4.2214 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.708 |
| InChI Key: | LKYVSFFDYNYWHH-MRXNPFEDSA-N |