N-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzamide
N-[(4-chlorophenyl)methyl]-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: | C200-2320 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-4-[(8-methoxy-4-oxo-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrimido[5,4-b]indol-3-yl)methyl]benzamide |
| Molecular Weight: | 504.99 |
| Molecular Formula: | C26 H21 Cl N4 O3 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(Cc3ccc(cc3)C(NCc3ccc(cc3)[Cl])=O)C(N1)=S)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 4.3065 |
| logD: | 4.3065 |
| logSw: | -4.655 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.233 |
| InChI Key: | PURZHUFNOBECOD-UHFFFAOYSA-N |