ethyl 4-[(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)carbamamido]benzoate
Chemical Structure Depiction of
ethyl 4-[(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)carbamamido]benzoate
ethyl 4-[(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)carbamamido]benzoate
Compound characteristics
| Compound ID: | E006-0402 |
| Compound Name: | ethyl 4-[(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)carbamamido]benzoate |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C25 H23 N3 O4 S |
| Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)NC(Nc1ccc(cc1)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1878 |
| logD: | 6.1878 |
| logSw: | -5.4546 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.454 |
| InChI Key: | BZCPCVHUZAEEGM-UHFFFAOYSA-N |