3-(4-chlorophenyl)-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
3-(4-chlorophenyl)-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one
Compound characteristics
| Compound ID: | C200-1752 |
| Compound Name: | 3-(4-chlorophenyl)-8-methoxy-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrimido[5,4-b]indol-4-one |
| Molecular Weight: | 357.82 |
| Molecular Formula: | C17 H12 Cl N3 O2 S |
| Smiles: | COc1ccc2c(c1)c1c(C(N(C(N1)=S)c1ccc(cc1)[Cl])=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.269 |
| logD: | 3.2684 |
| logSw: | -3.7527 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.208 |
| InChI Key: | AKDKWUVVLJRKKS-UHFFFAOYSA-N |