N-{3-[bis(2-methylpropyl)amino]propyl}-10-[(4-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[bis(2-methylpropyl)amino]propyl}-10-[(4-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[bis(2-methylpropyl)amino]propyl}-10-[(4-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-3480 |
| Compound Name: | N-{3-[bis(2-methylpropyl)amino]propyl}-10-[(4-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 564.19 |
| Molecular Formula: | C32 H38 Cl N3 O2 S |
| Smiles: | CC(C)CN(CCCNC(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2)=O)=O)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 7.4131 |
| logD: | 4.6177 |
| logSw: | -6.2066 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.889 |
| InChI Key: | XSWIWZXRUWWVKL-UHFFFAOYSA-N |