3-[4-(2,1,3-benzothiadiazole-4-sulfonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one
Chemical Structure Depiction of
3-[4-(2,1,3-benzothiadiazole-4-sulfonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one
3-[4-(2,1,3-benzothiadiazole-4-sulfonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one
Compound characteristics
| Compound ID: | T991-1757 |
| Compound Name: | 3-[4-(2,1,3-benzothiadiazole-4-sulfonyl)-1,4-diazepan-1-yl]-1-(cyclopropylmethyl)pyrrolidin-2-one |
| Molecular Weight: | 435.57 |
| Molecular Formula: | C19 H25 N5 O3 S2 |
| Smiles: | C1CN(CCN(C1)S(c1cccc2c1nsn2)(=O)=O)C1CCN(CC2CC2)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.814 |
| logD: | 1.8043 |
| logSw: | -2.305 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.107 |
| InChI Key: | QFYPMARIZWKJDZ-INIZCTEOSA-N |