7-(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | E975-1659 |
| Compound Name: | 7-(6-chloro-2-ethyl-2,3-dihydro-4H-1,4-benzoxazine-4-sulfonyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 438.95 |
| Molecular Formula: | C19 H19 Cl N2 O4 S2 |
| Smiles: | CCC1CN(c2cc(ccc2O1)[Cl])S(c1ccc2c(c1)NC(CCS2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5575 |
| logD: | 3.5573 |
| logSw: | -4.0057 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.786 |
| InChI Key: | DDBMVRNUUIUZRN-CYBMUJFWSA-N |