N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-2,1,3-benzothiadiazole-4-sulfonamide
N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | C105-2530 |
| Compound Name: | N-{3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl}-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C21 H25 N5 O3 S2 |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(CCNS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.051 |
| logD: | 3.0468 |
| logSw: | -3.3603 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.662 |
| InChI Key: | XBGIOWSPZNWLED-INIZCTEOSA-N |