5-(2,1,3-benzothiadiazole-4-sulfonyl)-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(2,1,3-benzothiadiazole-4-sulfonyl)-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one
5-(2,1,3-benzothiadiazole-4-sulfonyl)-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one
Compound characteristics
Compound ID: | S786-0256 |
Compound Name: | 5-(2,1,3-benzothiadiazole-4-sulfonyl)-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one |
Molecular Weight: | 398.5 |
Molecular Formula: | C16 H22 N4 O4 S2 |
Smiles: | C1CC(CCNC(CCN(C1)S(c1cccc2c1nsn2)(=O)=O)=O)CO |
Stereo: | RACEMIC MIXTURE |
logP: | 0.8111 |
logD: | 0.8111 |
logSw: | -2.1131 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 95.372 |
InChI Key: | KEWRWDCTVRGRAU-LBPRGKRZSA-N |