7-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G115-0141 |
| Compound Name: | 7-(2-ethyl-6-methyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 418.53 |
| Molecular Formula: | C20 H22 N2 O4 S2 |
| Smiles: | CCC1CN(c2cc(C)ccc2O1)S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4328 |
| logD: | 3.4326 |
| logSw: | -3.912 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.786 |
| InChI Key: | BREAOBLLXZEIES-CQSZACIVSA-N |