2-chloro-N-{3-[cyclohexyl(methyl)amino]propyl}-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-chloro-N-{3-[cyclohexyl(methyl)amino]propyl}-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
2-chloro-N-{3-[cyclohexyl(methyl)amino]propyl}-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-0667 |
| Compound Name: | 2-chloro-N-{3-[cyclohexyl(methyl)amino]propyl}-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 456.05 |
| Molecular Formula: | C25 H30 Cl N3 O S |
| Smiles: | CC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCCCN(C)C1CCCCC1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5446 |
| logD: | 3.0198 |
| logSw: | -5.772 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.793 |
| InChI Key: | OUEXRCHVUJDESO-UHFFFAOYSA-N |