3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
Chemical Structure Depiction of
3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
Compound characteristics
| Compound ID: | C661-0065 |
| Compound Name: | 3-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(CCC(NCc3ccccc3OC)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.5788 |
| logD: | 2.5787 |
| logSw: | -3.1199 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.9 |
| InChI Key: | ASGZMUZHXVFEBP-UHFFFAOYSA-N |