N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(4-methylphenyl)methyl]urea
Chemical Structure Depiction of
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(4-methylphenyl)methyl]urea
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(4-methylphenyl)methyl]urea
Compound characteristics
| Compound ID: | E006-0610 |
| Compound Name: | N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(4-methylphenyl)methyl]urea |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C29 H25 N3 O2 S |
| Smiles: | Cc1ccc(CNC(Nc2ccc3c(c2)N(Cc2ccccc2)C(c2ccccc2S3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.5284 |
| logD: | 6.5284 |
| logSw: | -5.6378 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.026 |
| InChI Key: | CITPFSPIYOQJJE-UHFFFAOYSA-N |