N-{2-[bis(2-methylpropyl)amino]ethyl}-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[bis(2-methylpropyl)amino]ethyl}-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[bis(2-methylpropyl)amino]ethyl}-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-1385 |
| Compound Name: | N-{2-[bis(2-methylpropyl)amino]ethyl}-2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 465.7 |
| Molecular Formula: | C28 H39 N3 O S |
| Smiles: | CCCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCN(CC(C)C)CC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9763 |
| logD: | 5.7932 |
| logSw: | -5.4708 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.719 |
| InChI Key: | WKIVNFAWVPGCPQ-UHFFFAOYSA-N |