10-benzyl-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-benzyl-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-benzyl-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1970 |
| Compound Name: | 10-benzyl-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 615.15 |
| Molecular Formula: | C33 H31 Cl N4 O4 S |
| Smiles: | C(CN1CCN(CC1)c1cccc(c1)[Cl])NC(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6212 |
| logD: | 4.5971 |
| logSw: | -4.5989 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.879 |
| InChI Key: | YUNSOXYRBGGHBI-UHFFFAOYSA-N |