N-[1-(adamantan-1-yl)ethyl]-4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanamide
N-[1-(adamantan-1-yl)ethyl]-4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanamide
Compound characteristics
| Compound ID: | C664-0102 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanamide |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C27 H34 N4 O3 S |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NC(CCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7477 |
| logD: | 3.7476 |
| logSw: | -4.1846 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.466 |
| InChI Key: | QSBBXNHNGNYLLI-GLCHGYBISA-N |