N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[2-(2,3,4-trimethoxyphenyl)ethyl]urea
Chemical Structure Depiction of
N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[2-(2,3,4-trimethoxyphenyl)ethyl]urea
N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[2-(2,3,4-trimethoxyphenyl)ethyl]urea
Compound characteristics
| Compound ID: | E006-0250 |
| Compound Name: | N-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)-N'-[2-(2,3,4-trimethoxyphenyl)ethyl]urea |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C26 H27 N3 O5 S |
| Smiles: | CN1C(c2ccccc2Sc2ccc(cc12)NC(NCCc1ccc(c(c1OC)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4751 |
| logD: | 4.4751 |
| logSw: | -4.3249 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.969 |
| InChI Key: | KVDZQRDDSPWCCI-UHFFFAOYSA-N |