N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Compound characteristics
| Compound ID: | E006-0206 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C27 H29 N3 O4 S |
| Smiles: | CCOc1ccc(CCNC(Nc2ccc3c(c2)N(C)C(c2ccccc2S3)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.3324 |
| logD: | 4.3324 |
| logSw: | -4.2171 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.325 |
| InChI Key: | UXRHUPWTTYCPAQ-UHFFFAOYSA-N |