N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(4-methoxyphenyl)methyl]urea
Chemical Structure Depiction of
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(4-methoxyphenyl)methyl]urea
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(4-methoxyphenyl)methyl]urea
Compound characteristics
| Compound ID: | C799-0041 |
| Compound Name: | N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(4-methoxyphenyl)methyl]urea |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C29 H25 N3 O3 S |
| Smiles: | COc1ccc(CNC(Nc2ccc3c(c2)N(Cc2ccccc2)C(c2ccccc2S3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0874 |
| logD: | 6.0874 |
| logSw: | -5.4686 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.569 |
| InChI Key: | WYPSUGAINXXHBM-UHFFFAOYSA-N |