N-benzyl-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-benzyl-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide
N-benzyl-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | K250-0014 |
| Compound Name: | N-benzyl-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}benzimidazo[1,2-c]quinazoline-3-carboxamide |
| Molecular Weight: | 547.64 |
| Molecular Formula: | C31 H25 N5 O3 S |
| Smiles: | COc1cccc(c1)NC(CSc1nc2cc(ccc2c2nc3ccccc3n12)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9748 |
| logD: | 5.9744 |
| logSw: | -5.6189 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.925 |
| InChI Key: | IAGDYKDJFYLKCT-UHFFFAOYSA-N |