N-benzyl-2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
N-benzyl-2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(propan-2-yl)acetamide
N-benzyl-2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | C676-0219 |
| Compound Name: | N-benzyl-2-(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(propan-2-yl)acetamide |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | CC(C)N(Cc1ccccc1)C(CN1C(c2c(c3cc(ccc3[nH]2)OC)NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9937 |
| logD: | 2.9936 |
| logSw: | -3.4501 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.519 |
| InChI Key: | CJFWYKDFBJOMIE-UHFFFAOYSA-N |