ethyl 4-[(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)carbamamido]benzoate
Chemical Structure Depiction of
ethyl 4-[(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)carbamamido]benzoate
ethyl 4-[(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)carbamamido]benzoate
Compound characteristics
| Compound ID: | E006-0125 |
| Compound Name: | ethyl 4-[(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)carbamamido]benzoate |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C24 H21 N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(Nc1ccc2c(c1)N(C)C(c1ccccc1S2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5335 |
| logD: | 5.5334 |
| logSw: | -5.3738 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.494 |
| InChI Key: | BXMMQVMBHWQABU-UHFFFAOYSA-N |