N-(3,4-dimethylphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
N-(3,4-dimethylphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
Compound characteristics
| Compound ID: | E006-0410 |
| Compound Name: | N-(3,4-dimethylphenyl)-N'-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C24 H23 N3 O2 S |
| Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)NC(Nc1ccc(C)c(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5739 |
| logD: | 6.5739 |
| logSw: | -5.6254 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.7 |
| InChI Key: | ROPXCFUBDNGWPK-UHFFFAOYSA-N |