N-[(4-butoxyphenyl)methyl]triimidodicarbonic diamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[(4-butoxyphenyl)methyl]triimidodicarbonic diamide--hydrogen chloride (1/1)
N-[(4-butoxyphenyl)methyl]triimidodicarbonic diamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4646-0542 |
| Compound Name: | N-[(4-butoxyphenyl)methyl]triimidodicarbonic diamide--hydrogen chloride (1/1) |
| Molecular Weight: | 299.8 |
| Molecular Formula: | C13 H21 N5 O |
| Salt: | HCl |
| Smiles: | CCCCOc1ccc(CNC(=N)NC(N)=N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 0.9154 |
| logD: | -1.1101 |
| logSw: | -1.772 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 85.509 |
| InChI Key: | SIJJASYHTCUKNL-UHFFFAOYSA-N |