N-butyl-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzamide
Chemical Structure Depiction of
N-butyl-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzamide
N-butyl-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C674-0032 |
| Compound Name: | N-butyl-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzamide |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | CCCCNC(c1ccc(CN2C(c3c(c4cc(ccc4[nH]3)OC)NC2=S)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5243 |
| logD: | 3.5243 |
| logSw: | -3.7993 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.346 |
| InChI Key: | LMKJKZRQPQYEMZ-UHFFFAOYSA-N |