7-[4-(furan-2-carbonyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[4-(furan-2-carbonyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[4-(furan-2-carbonyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
Compound ID: | G008-3298 |
Compound Name: | 7-[4-(furan-2-carbonyl)piperazine-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
Molecular Weight: | 435.52 |
Molecular Formula: | C19 H21 N3 O5 S2 |
Smiles: | CC1CSc2ccc(cc2NC1=O)S(N1CCN(CC1)C(c1ccco1)=O)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.8242 |
logD: | 1.8237 |
logSw: | -2.6593 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.193 |
InChI Key: | IHFQGGWGUBQZRN-CYBMUJFWSA-N |