4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-(prop-2-en-1-yl)benzamide
4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | C674-0037 |
| Compound Name: | 4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(Cc3ccc(cc3)C(NCC=C)=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 2.5415 |
| logD: | 2.5414 |
| logSw: | -2.9506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.346 |
| InChI Key: | POALTRXONYCCCZ-UHFFFAOYSA-N |