N-(3,5-dimethylphenyl)-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
N-(3,5-dimethylphenyl)-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Compound characteristics
| Compound ID: | E006-0140 |
| Compound Name: | N-(3,5-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: | Cc1cc(C)cc(c1)NC(Nc1ccc2c(c1)N(C)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.625 |
| logD: | 5.625 |
| logSw: | -5.4171 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.741 |
| InChI Key: | JMWBHRSRCOLOTF-UHFFFAOYSA-N |