N-[(3-bromophenyl)methyl]-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
N-[(3-bromophenyl)methyl]-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Compound characteristics
| Compound ID: | E006-0541 |
| Compound Name: | N-[(3-bromophenyl)methyl]-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea |
| Molecular Weight: | 482.4 |
| Molecular Formula: | C23 H20 Br N3 O2 S |
| Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)NC(NCc1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5558 |
| logD: | 5.5558 |
| logSw: | -5.3586 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.022 |
| InChI Key: | BAKAKGNOKJXWBP-UHFFFAOYSA-N |