10-[(3-chlorophenyl)methyl]-8-(4-cyclohexylpiperazine-1-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-8-(4-cyclohexylpiperazine-1-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-[(3-chlorophenyl)methyl]-8-(4-cyclohexylpiperazine-1-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | K788-8616 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-8-(4-cyclohexylpiperazine-1-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 578.13 |
| Molecular Formula: | C31 H32 Cl N3 O4 S |
| Smiles: | C1CCC(CC1)N1CCN(CC1)C(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8783 |
| logD: | 4.716 |
| logSw: | -4.8977 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.123 |
| InChI Key: | XRNWTXZFSAUNDG-UHFFFAOYSA-N |