N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(pyridin-3-yl)methyl]urea
Chemical Structure Depiction of
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(pyridin-3-yl)methyl]urea
N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(pyridin-3-yl)methyl]urea
Compound characteristics
| Compound ID: | E006-0344 |
| Compound Name: | N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(pyridin-3-yl)methyl]urea |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C22 H20 N4 O2 S |
| Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)NC(NCc1cccnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5752 |
| logD: | 3.5742 |
| logSw: | -3.6686 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.54 |
| InChI Key: | OTRMPGQWNNWYKI-UHFFFAOYSA-N |