1-[7-(4-phenylpiperazine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[7-(4-phenylpiperazine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
1-[7-(4-phenylpiperazine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
Compound characteristics
Compound ID: | G269-0080 |
Compound Name: | 1-[7-(4-phenylpiperazine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one |
Molecular Weight: | 431.57 |
Molecular Formula: | C21 H25 N3 O3 S2 |
Smiles: | CC(N1CCCSc2ccc(cc12)S(N1CCN(CC1)c1ccccc1)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3612 |
logD: | 3.3612 |
logSw: | -3.8796 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 51.593 |
InChI Key: | VKCYZTWYNOTGCG-UHFFFAOYSA-N |