4-({4-[2-(methanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-({4-[2-(methanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
4-({4-[2-(methanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0008 |
| Compound Name: | 4-({4-[2-(methanesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]piperazin-1-yl}methyl)-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C26 H29 N3 O5 S |
| Smiles: | Cc1ccc2C(CN3CCN(CC3)C(C3Cc4ccccc4CN3S(C)(=O)=O)=O)=CC(=O)Oc2c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5382 |
| logD: | 2.5362 |
| logSw: | -3.1562 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.442 |
| InChI Key: | HSVHICOFFFRNFR-QHCPKHFHSA-N |