10-[(3-chlorophenyl)methyl]-N-[3-(4-ethylpiperazin-1-yl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-[3-(4-ethylpiperazin-1-yl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-[3-(4-ethylpiperazin-1-yl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-3614 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-[3-(4-ethylpiperazin-1-yl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 549.14 |
| Molecular Formula: | C30 H33 Cl N4 O2 S |
| Smiles: | CCN1CCN(CCCNC(c2ccc3c(c2)N(Cc2cccc(c2)[Cl])C(c2ccccc2S3)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.9533 |
| logD: | 4.005 |
| logSw: | -4.7669 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.175 |
| InChI Key: | JOHAPJLGHIJMJQ-UHFFFAOYSA-N |