N-[(3,4-dimethoxyphenyl)methyl]-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
N-[(3,4-dimethoxyphenyl)methyl]-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Compound characteristics
| Compound ID: | E006-0271 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C24 H23 N3 O4 S |
| Smiles: | CN1C(c2ccccc2Sc2ccc(cc12)NC(NCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7635 |
| logD: | 3.7635 |
| logSw: | -4.0482 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.324 |
| InChI Key: | BKMURWCUGPEUFS-UHFFFAOYSA-N |