N-(2-{(butan-2-yl)[(thiophen-2-yl)methyl]amino}ethyl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Chemical Structure Depiction of
N-(2-{(butan-2-yl)[(thiophen-2-yl)methyl]amino}ethyl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
N-(2-{(butan-2-yl)[(thiophen-2-yl)methyl]amino}ethyl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide
Compound characteristics
| Compound ID: | G596-0282 |
| Compound Name: | N-(2-{(butan-2-yl)[(thiophen-2-yl)methyl]amino}ethyl)-2-(6-oxo-5,6-dihydro-7H-pyrrolo[1,2-a][3,1,6]benzothiadiazocin-7-yl)acetamide |
| Molecular Weight: | 482.67 |
| Molecular Formula: | C25 H30 N4 O2 S2 |
| Smiles: | CCC(C)N(CCNC(CN1C(CSc2cccn2c2ccccc12)=O)=O)Cc1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8381 |
| logD: | 3.0839 |
| logSw: | -3.818 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.82 |
| InChI Key: | WKCZGOJCGGZETB-IBGZPJMESA-N |