N-benzyl-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-methylbenzamide
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)methyl]-N-methylbenzamide
N-benzyl-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-methylbenzamide
Compound characteristics
| Compound ID: | C674-0089 |
| Compound Name: | N-benzyl-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-methylbenzamide |
| Molecular Weight: | 484.58 |
| Molecular Formula: | C27 H24 N4 O3 S |
| Smiles: | CN(Cc1ccccc1)C(c1ccc(CN2C(c3c(c4cc(ccc4[nH]3)OC)NC2=S)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9351 |
| logD: | 3.935 |
| logSw: | -4.2579 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.97 |
| InChI Key: | HICNEBGAXKWEST-UHFFFAOYSA-N |