3-({3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-methoxy-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}methyl)benzonitrile
Chemical Structure Depiction of
3-({3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-methoxy-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}methyl)benzonitrile
3-({3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-methoxy-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | M770-0167 |
| Compound Name: | 3-({3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-methoxy-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}methyl)benzonitrile |
| Molecular Weight: | 452.47 |
| Molecular Formula: | C25 H20 N6 O3 |
| Smiles: | COc1ccc2c(c1)c1c(C(N(Cc3nc(C4CC4)no3)C=N1)=O)n2Cc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6307 |
| logD: | 3.6307 |
| logSw: | -4.171 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.395 |
| InChI Key: | LWXUHDXMQSVKIK-UHFFFAOYSA-N |