10-[(4-chlorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1039 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 566.12 |
| Molecular Formula: | C30 H32 Cl N3 O4 S |
| Smiles: | CC1CCCN(CCCNC(c2ccc3c(c2)N(Cc2ccc(cc2)[Cl])C(c2ccccc2S3(=O)=O)=O)=O)C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.419 |
| logD: | 1.8474 |
| logSw: | -4.5004 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.552 |
| InChI Key: | IVVLOZPZBSDULJ-NRFANRHFSA-N |