N-[(4-ethoxyphenyl)methyl]-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Chemical Structure Depiction of
N-[(4-ethoxyphenyl)methyl]-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
N-[(4-ethoxyphenyl)methyl]-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Compound characteristics
| Compound ID: | E006-0549 |
| Compound Name: | N-[(4-ethoxyphenyl)methyl]-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C25 H25 N3 O3 S |
| Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)NC(NCc1ccc(cc1)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1719 |
| logD: | 5.1719 |
| logSw: | -4.8308 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.146 |
| InChI Key: | MYXWDMYLJOPEMF-UHFFFAOYSA-N |