N-{4-[1-{2-[(butan-2-yl)amino]-2-oxoethyl}-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Chemical Structure Depiction of
N-{4-[1-{2-[(butan-2-yl)amino]-2-oxoethyl}-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
N-{4-[1-{2-[(butan-2-yl)amino]-2-oxoethyl}-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide
Compound characteristics
| Compound ID: | F714-0888 |
| Compound Name: | N-{4-[1-{2-[(butan-2-yl)amino]-2-oxoethyl}-3,4-dihydroisoquinoline-2(1H)-sulfonyl]phenyl}propanamide |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C24 H31 N3 O4 S |
| Smiles: | CCC(C)NC(CC1c2ccccc2CCN1S(c1ccc(cc1)NC(CC)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5258 |
| logD: | 3.5252 |
| logSw: | -3.7381 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.987 |
| InChI Key: | WANMJCRCNHOEID-UHFFFAOYSA-N |