10-ethyl-8-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
10-ethyl-8-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-ethyl-8-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
Compound ID: | C530-0300 |
Compound Name: | 10-ethyl-8-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
Molecular Weight: | 505.59 |
Molecular Formula: | C27 H27 N3 O5 S |
Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(N1CCN(CC1)c1ccc(cc1)OC)=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.0029 |
logD: | 3.0029 |
logSw: | -3.6147 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 71.829 |
InChI Key: | IWNGRKVNSBTWRP-UHFFFAOYSA-N |