N-{2-[ethyl(phenyl)amino]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[ethyl(phenyl)amino]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[ethyl(phenyl)amino]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-0437 |
| Compound Name: | N-{2-[ethyl(phenyl)amino]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C27 H29 N3 O S |
| Smiles: | CCCC1c2ccccc2Sc2ccc(cc2N=1)C(NCCN(CC)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9377 |
| logD: | 5.9369 |
| logSw: | -5.489 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.475 |
| InChI Key: | ROMMARXTXZZILN-UHFFFAOYSA-N |