ethyl N-{[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetyl}glycinate
Chemical Structure Depiction of
ethyl N-{[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetyl}glycinate
ethyl N-{[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetyl}glycinate
Compound characteristics
| Compound ID: | C714-0298 |
| Compound Name: | ethyl N-{[2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetyl}glycinate |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C22 H24 N2 O5 S |
| Smiles: | CCOC(CNC(CN1C(CC(c2ccc(cc2)OC)Sc2ccccc12)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1992 |
| logD: | 3.1992 |
| logSw: | -3.3791 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.124 |
| InChI Key: | XQSKCJHPOGGSRR-IBGZPJMESA-N |