methyl 3-[(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]thiophene-2-carboxylate
methyl 3-[(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C791-0033 |
| Compound Name: | methyl 3-[(11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carbonyl)amino]thiophene-2-carboxylate |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C20 H14 N2 O4 S2 |
| Smiles: | COC(c1c(ccs1)NC(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0167 |
| logD: | 3.5011 |
| logSw: | -4.3286 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.761 |
| InChI Key: | PLOGPLHAFURBBG-UHFFFAOYSA-N |