N-{3-[benzyl(butyl)amino]propyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(butyl)amino]propyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[benzyl(butyl)amino]propyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1374 |
| Compound Name: | N-{3-[benzyl(butyl)amino]propyl}-2-chloro-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 506.11 |
| Molecular Formula: | C29 H32 Cl N3 O S |
| Smiles: | CCCCN(CCCNC(c1ccc2c(c1)N=C(C)c1cc(ccc1S2)[Cl])=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.808 |
| logD: | 5.2455 |
| logSw: | -6.0667 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.695 |
| InChI Key: | DSDFCOGNWYWAHY-UHFFFAOYSA-N |