N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(pyridin-2-yl)methyl]urea
Chemical Structure Depiction of
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(pyridin-2-yl)methyl]urea
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(pyridin-2-yl)methyl]urea
Compound characteristics
| Compound ID: | E006-0579 |
| Compound Name: | N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[(pyridin-2-yl)methyl]urea |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C27 H22 N4 O2 S |
| Smiles: | C(c1ccccn1)NC(Nc1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1952 |
| logD: | 5.1952 |
| logSw: | -5.3085 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.569 |
| InChI Key: | AEFHRDMFCNVSED-UHFFFAOYSA-N |