N'-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N-butyl-N-ethylurea
Chemical Structure Depiction of
N'-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N-butyl-N-ethylurea
N'-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N-butyl-N-ethylurea
Compound characteristics
| Compound ID: | E006-0565 |
| Compound Name: | N'-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N-butyl-N-ethylurea |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C27 H29 N3 O2 S |
| Smiles: | CCCCN(CC)C(Nc1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6387 |
| logD: | 6.6387 |
| logSw: | -5.6217 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.407 |
| InChI Key: | HNOSSDNOUWCXQK-UHFFFAOYSA-N |