N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[3-(trifluoromethyl)phenyl]urea
Chemical Structure Depiction of
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[3-(trifluoromethyl)phenyl]urea
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[3-(trifluoromethyl)phenyl]urea
Compound characteristics
| Compound ID: | E006-0337 |
| Compound Name: | N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[3-(trifluoromethyl)phenyl]urea |
| Molecular Weight: | 457.47 |
| Molecular Formula: | C23 H18 F3 N3 O2 S |
| Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)NC(Nc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6297 |
| logD: | 6.6296 |
| logSw: | -5.7438 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.7 |
| InChI Key: | JWHWCVKIUUGAJV-UHFFFAOYSA-N |