N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(oxolan-2-yl)methyl]urea
Chemical Structure Depiction of
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(oxolan-2-yl)methyl]urea
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(oxolan-2-yl)methyl]urea
Compound characteristics
| Compound ID: | E006-0413 |
| Compound Name: | N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(oxolan-2-yl)methyl]urea |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)NC(NCC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6462 |
| logD: | 3.6462 |
| logSw: | -3.8693 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.676 |
| InChI Key: | ATIWAGKVRCCQBX-OAHLLOKOSA-N |