N-(1-benzylpiperidin-4-yl)-3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Chemical Structure Depiction of
N-(1-benzylpiperidin-4-yl)-3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
N-(1-benzylpiperidin-4-yl)-3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide
Compound characteristics
| Compound ID: | C661-0112 |
| Compound Name: | N-(1-benzylpiperidin-4-yl)-3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)propanamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H29 N5 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCC(NC3CCN(CC3)Cc3ccccc3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.6057 |
| logD: | 1.048 |
| logSw: | -3.1512 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.535 |
| InChI Key: | REVUSKKRCIRAJB-UHFFFAOYSA-N |