6-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)-N-benzylbenzimidazo[1,2-c]quinazoline-3-carboxamide
Chemical Structure Depiction of
6-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)-N-benzylbenzimidazo[1,2-c]quinazoline-3-carboxamide
6-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)-N-benzylbenzimidazo[1,2-c]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | K250-0031 |
| Compound Name: | 6-({1-[(2H-1,3-benzodioxol-5-yl)amino]-1-oxobutan-2-yl}sulfanyl)-N-benzylbenzimidazo[1,2-c]quinazoline-3-carboxamide |
| Molecular Weight: | 589.67 |
| Molecular Formula: | C33 H27 N5 O4 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)Sc1nc2cc(ccc2c2nc3ccccc3n12)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6906 |
| logD: | 6.69 |
| logSw: | -5.7867 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.71 |
| InChI Key: | SFOPREUNBJXJJI-LJAQVGFWSA-N |