2-chloro-N-{3-[ethyl(3-methylphenyl)amino]propyl}-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-chloro-N-{3-[ethyl(3-methylphenyl)amino]propyl}-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
2-chloro-N-{3-[ethyl(3-methylphenyl)amino]propyl}-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1355 |
| Compound Name: | 2-chloro-N-{3-[ethyl(3-methylphenyl)amino]propyl}-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 478.06 |
| Molecular Formula: | C27 H28 Cl N3 O S |
| Smiles: | CCN(CCCNC(c1ccc2c(c1)N=C(C)c1cc(ccc1S2)[Cl])=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.6437 |
| logD: | 6.6153 |
| logSw: | -6.118 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.745 |
| InChI Key: | YLCMBSDZNVOJRB-UHFFFAOYSA-N |