4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
Chemical Structure Depiction of
4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
Compound characteristics
| Compound ID: | C664-0130 |
| Compound Name: | 4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCC(NC3CCCc4ccccc34)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1819 |
| logD: | 3.1818 |
| logSw: | -3.4323 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.114 |
| InChI Key: | RDLUGJNKDAMSCG-IBGZPJMESA-N |