N-(5-chloro-2-methylphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
N-(5-chloro-2-methylphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Compound characteristics
Compound ID: | E006-0365 |
Compound Name: | N-(5-chloro-2-methylphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea |
Molecular Weight: | 437.95 |
Molecular Formula: | C23 H20 Cl N3 O2 S |
Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)NC(Nc1cc(ccc1C)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 6.0445 |
logD: | 6.0445 |
logSw: | -5.8601 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 47.002 |
InChI Key: | QRYBYFNTLOGWDL-UHFFFAOYSA-N |