N-[3'-acetyl-5,7-dimethyl-2-oxo-1-({2-[(prop-2-en-1-yl)oxy]phenyl}methyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl]acetamide
Chemical Structure Depiction of
N-[3'-acetyl-5,7-dimethyl-2-oxo-1-({2-[(prop-2-en-1-yl)oxy]phenyl}methyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl]acetamide
N-[3'-acetyl-5,7-dimethyl-2-oxo-1-({2-[(prop-2-en-1-yl)oxy]phenyl}methyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl]acetamide
Compound characteristics
| Compound ID: | D436-0290 |
| Compound Name: | N-[3'-acetyl-5,7-dimethyl-2-oxo-1-({2-[(prop-2-en-1-yl)oxy]phenyl}methyl)-1,2-dihydro-3'H-spiro[indole-3,2'-[1,3,4]thiadiazol]-5'-yl]acetamide |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C25 H26 N4 O4 S |
| Smiles: | CC(NC1=NN(C(C)=O)C2(C(N(Cc3ccccc3OCC=C)c3c(C)cc(C)cc23)=O)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5433 |
| logD: | 4.5283 |
| logSw: | -4.3687 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.707 |
| InChI Key: | PHBSHVQZSBFRHT-VWLOTQADSA-N |