N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-{3-[(propan-2-yl)oxy]propyl}urea
Chemical Structure Depiction of
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-{3-[(propan-2-yl)oxy]propyl}urea
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-{3-[(propan-2-yl)oxy]propyl}urea
Compound characteristics
| Compound ID: | E006-0452 |
| Compound Name: | N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-{3-[(propan-2-yl)oxy]propyl}urea |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C22 H27 N3 O3 S |
| Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)NC(NCCCOC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2112 |
| logD: | 4.2112 |
| logSw: | -4.1314 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.336 |
| InChI Key: | FLGYVBDVCDTWKW-UHFFFAOYSA-N |