N-benzyl-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-benzyl-4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanamide
N-benzyl-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: | C664-0049 |
| Compound Name: | N-benzyl-4-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)butanamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCCC(NCc3ccccc3)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.1043 |
| logD: | 2.1042 |
| logSw: | -2.9661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.27 |
| InChI Key: | MWRMFODAZFZGAA-UHFFFAOYSA-N |