N-[4-(2-{3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-indol-1-yl}ethoxy)phenyl]acetamide
Chemical Structure Depiction of
N-[4-(2-{3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-indol-1-yl}ethoxy)phenyl]acetamide
N-[4-(2-{3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-indol-1-yl}ethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | C469-0080 |
| Compound Name: | N-[4-(2-{3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2,5-dimethyl-1H-indol-1-yl}ethoxy)phenyl]acetamide |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C25 H24 N4 O4 S |
| Smiles: | CC(Nc1ccc(cc1)OCCn1c(C)c(C=C2C(NC(NC2=O)=S)=O)c2cc(C)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0442 |
| logD: | 3.7753 |
| logSw: | -4.0381 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.484 |
| InChI Key: | DBZFEIJQMNTBNK-UHFFFAOYSA-N |