N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-(2,4-difluorophenyl)urea
Chemical Structure Depiction of
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-(2,4-difluorophenyl)urea
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-(2,4-difluorophenyl)urea
Compound characteristics
| Compound ID: | E006-0599 |
| Compound Name: | N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-(2,4-difluorophenyl)urea |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C27 H19 F2 N3 O2 S |
| Smiles: | C(c1ccccc1)N1C(c2ccccc2Sc2ccc(cc12)NC(Nc1ccc(cc1F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8053 |
| logD: | 6.8034 |
| logSw: | -6.1106 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.006 |
| InChI Key: | PNNTXYLKELFZDT-UHFFFAOYSA-N |