N-[(2,3-dimethoxyphenyl)methyl]-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
N-[(2,3-dimethoxyphenyl)methyl]-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Compound characteristics
| Compound ID: | E006-0539 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C25 H25 N3 O4 S |
| Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)NC(NCc1cccc(c1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9439 |
| logD: | 4.9439 |
| logSw: | -4.4891 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.369 |
| InChI Key: | ZPPBCHBMPUXNMB-UHFFFAOYSA-N |