3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1-{4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}propan-1-one
Chemical Structure Depiction of
3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1-{4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}propan-1-one
3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1-{4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}propan-1-one
Compound characteristics
| Compound ID: | T500-1670 |
| Compound Name: | 3-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-1-{4-[(4-methylphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl}propan-1-one |
| Molecular Weight: | 538.71 |
| Molecular Formula: | C30 H38 N2 O5 S |
| Smiles: | CC(N1CCc2cc(ccc12)S(CCC(N1CCC2(CC1)CC(CCO2)Cc1ccc(C)cc1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3822 |
| logD: | 3.3822 |
| logSw: | -3.8574 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.144 |
| InChI Key: | CAIDNYLCLZPJEO-VWLOTQADSA-N |