N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-{2-[4-(methylsulfanyl)phenyl]ethyl}urea
Chemical Structure Depiction of
N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-{2-[4-(methylsulfanyl)phenyl]ethyl}urea
N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-{2-[4-(methylsulfanyl)phenyl]ethyl}urea
Compound characteristics
| Compound ID: | E006-0253 |
| Compound Name: | N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-{2-[4-(methylsulfanyl)phenyl]ethyl}urea |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C24 H23 N3 O2 S2 |
| Smiles: | CN1C(c2ccccc2Sc2ccc(cc12)NC(NCCc1ccc(cc1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0434 |
| logD: | 5.0434 |
| logSw: | -4.4767 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.904 |
| InChI Key: | CMEXMOYNYJLBJV-UHFFFAOYSA-N |