methyl 10-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0261 |
| Compound Name: | methyl 10-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 476.51 |
| Molecular Formula: | C25 H20 N2 O6 S |
| Smiles: | COC(c1ccc2c(c1)N(CC(Nc1ccc3c(c1)OCCO3)=O)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6963 |
| logD: | 3.6962 |
| logSw: | -4.0512 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.547 |
| InChI Key: | ODIYWXSKRBFJAX-UHFFFAOYSA-N |