N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[2-(thiophen-2-yl)ethyl]urea
Chemical Structure Depiction of
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[2-(thiophen-2-yl)ethyl]urea
N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[2-(thiophen-2-yl)ethyl]urea
Compound characteristics
| Compound ID: | E006-0667 |
| Compound Name: | N-(10-benzyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[2-(thiophen-2-yl)ethyl]urea |
| Molecular Weight: | 485.63 |
| Molecular Formula: | C27 H23 N3 O2 S2 |
| Smiles: | C(CNC(Nc1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2)=O)=O)c1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 6.2395 |
| logD: | 6.2395 |
| logSw: | -5.9293 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.886 |
| InChI Key: | KLGTWHANPZRQAL-UHFFFAOYSA-N |