N-[3-(4-benzylpiperazin-1-yl)propyl]-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperazin-1-yl)propyl]-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[3-(4-benzylpiperazin-1-yl)propyl]-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-8571 |
| Compound Name: | N-[3-(4-benzylpiperazin-1-yl)propyl]-10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 643.21 |
| Molecular Formula: | C35 H35 Cl N4 O4 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O)CN1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4972 |
| logD: | 3.7263 |
| logSw: | -4.5634 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.159 |
| InChI Key: | OMBRXXQHSLGWSW-UHFFFAOYSA-N |