8-(methanesulfonyl)-1-{[5-methoxy-1-(propan-2-yl)-1H-indol-3-yl]methyl}-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(methanesulfonyl)-1-{[5-methoxy-1-(propan-2-yl)-1H-indol-3-yl]methyl}-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(methanesulfonyl)-1-{[5-methoxy-1-(propan-2-yl)-1H-indol-3-yl]methyl}-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0195 |
| Compound Name: | 8-(methanesulfonyl)-1-{[5-methoxy-1-(propan-2-yl)-1H-indol-3-yl]methyl}-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 526.7 |
| Molecular Formula: | C28 H38 N4 O4 S |
| Smiles: | CC(C)n1cc(CN2CCCN(C(CC(NCC2)=O)c2ccccc2)S(C)(=O)=O)c2cc(ccc12)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.147 |
| logD: | -0.0703 |
| logSw: | -3.3619 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.146 |
| InChI Key: | RFQHIBQSWVRXOS-MHZLTWQESA-N |