10-[(2-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0760 |
| Compound Name: | 10-[(2-fluorophenyl)methyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 534.65 |
| Molecular Formula: | C29 H31 F N4 O3 S |
| Smiles: | CN1CCN(CCCNC(c2ccc3c(c2)N(Cc2ccccc2F)C(c2ccccc2S3=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.3543 |
| logD: | 1.204 |
| logSw: | -3.17 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.499 |
| InChI Key: | HDHWIRIGHDISBZ-UHFFFAOYSA-N |