10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-N-{3-[(propan-2-yl)oxy]propyl}-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-N-{3-[(propan-2-yl)oxy]propyl}-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-N-{3-[(propan-2-yl)oxy]propyl}-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-8553 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-5,5,11-trioxo-N-{3-[(propan-2-yl)oxy]propyl}-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 527.04 |
| Molecular Formula: | C27 H27 Cl N2 O5 S |
| Smiles: | CC(C)OCCCNC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0565 |
| logD: | 4.0565 |
| logSw: | -4.3326 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.108 |
| InChI Key: | NXSWYCYMPJHMSI-UHFFFAOYSA-N |