10-[(3-chlorophenyl)methyl]-8-(1,3-dihydro-2H-isoindole-2-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-8-(1,3-dihydro-2H-isoindole-2-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
10-[(3-chlorophenyl)methyl]-8-(1,3-dihydro-2H-isoindole-2-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | K788-8346 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-8-(1,3-dihydro-2H-isoindole-2-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 513.01 |
| Molecular Formula: | C29 H21 Cl N2 O3 S |
| Smiles: | C1c2ccccc2CN1C(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8052 |
| logD: | 4.8052 |
| logSw: | -4.8929 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.394 |
| InChI Key: | ULVVPVNMDPTSCT-UHFFFAOYSA-N |