N-(2,4-dimethylphenyl)-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
N-(2,4-dimethylphenyl)-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Compound characteristics
| Compound ID: | E006-0121 |
| Compound Name: | N-(2,4-dimethylphenyl)-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C23 H21 N3 O2 S |
| Smiles: | Cc1ccc(c(C)c1)NC(Nc1ccc2c(c1)N(C)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4156 |
| logD: | 5.4156 |
| logSw: | -5.3366 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.043 |
| InChI Key: | ILSDOOABHKUMHG-UHFFFAOYSA-N |