N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(4-propoxyphenyl)methyl]urea
Chemical Structure Depiction of
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(4-propoxyphenyl)methyl]urea
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(4-propoxyphenyl)methyl]urea
Compound characteristics
| Compound ID: | E006-0546 |
| Compound Name: | N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(4-propoxyphenyl)methyl]urea |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C26 H27 N3 O3 S |
| Smiles: | CCCOc1ccc(CNC(Nc2ccc3c(c2)N(CC)C(c2ccccc2S3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7623 |
| logD: | 5.7623 |
| logSw: | -5.4278 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.44 |
| InChI Key: | KNJDEXKCDHTKFH-UHFFFAOYSA-N |