N-[(2RS)-butan-2-yl]-6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)hexanamide
Chemical Structure Depiction of
N-[(2RS)-butan-2-yl]-6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)hexanamide
N-[(2RS)-butan-2-yl]-6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)hexanamide
Compound characteristics
| Compound ID: | C659-0074 |
| Compound Name: | N-[(2RS)-butan-2-yl]-6-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)hexanamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | CC[C@H](C)NC(CCCCCN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.71 |
| logD: | 2.7099 |
| logSw: | -3.2026 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 66.983 |
| InChI Key: | YKDMPDGDIZYBMS-ZDUSSCGKSA-N |