2-chloro-N-[2-(dibutylamino)ethyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-chloro-N-[2-(dibutylamino)ethyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
2-chloro-N-[2-(dibutylamino)ethyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-0674 |
| Compound Name: | 2-chloro-N-[2-(dibutylamino)ethyl]-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 458.07 |
| Molecular Formula: | C25 H32 Cl N3 O S |
| Smiles: | CCCCN(CCCC)CCNC(c1ccc2c(c1)N=C(C)c1cc(ccc1S2)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.516 |
| logD: | 5.4545 |
| logSw: | -6.115 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.945 |
| InChI Key: | HUUSMUXXSAGZTE-UHFFFAOYSA-N |