N-(2,5-diethoxyphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Chemical Structure Depiction of
N-(2,5-diethoxyphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
N-(2,5-diethoxyphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Compound characteristics
| Compound ID: | E006-0458 |
| Compound Name: | N-(2,5-diethoxyphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C26 H27 N3 O4 S |
| Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)NC(Nc1cc(ccc1OCC)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0798 |
| logD: | 6.0797 |
| logSw: | -5.4521 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.336 |
| InChI Key: | KMDNSPIYIWDMCG-UHFFFAOYSA-N |