N-butyl-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-butyl-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-butyl-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C700-0784 |
| Compound Name: | N-butyl-1,4,11-trimethyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 352.5 |
| Molecular Formula: | C21 H24 N2 O S |
| Smiles: | CCCCNC(c1ccc2c(c1)N=C(C)c1c(C)ccc(C)c1S2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1367 |
| logD: | 5.1363 |
| logSw: | -5.027 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.027 |
| InChI Key: | DHPMXJKRXBOBAT-UHFFFAOYSA-N |