2-(chloromethyl)-5-(4-methylanilino)-3-(2-methylpropyl)-3H-anthra[1,2-d]imidazole-6,11-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(chloromethyl)-5-(4-methylanilino)-3-(2-methylpropyl)-3H-anthra[1,2-d]imidazole-6,11-dione--hydrogen chloride (1/1)
2-(chloromethyl)-5-(4-methylanilino)-3-(2-methylpropyl)-3H-anthra[1,2-d]imidazole-6,11-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8018-8826 |
| Compound Name: | 2-(chloromethyl)-5-(4-methylanilino)-3-(2-methylpropyl)-3H-anthra[1,2-d]imidazole-6,11-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 494.42 |
| Molecular Formula: | C27 H24 Cl N3 O2 |
| Salt: | HCl |
| Smiles: | CC(C)Cn1c2cc(c3C(c4ccccc4C(c3c2nc1C[Cl])=O)=O)Nc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.4609 |
| logD: | 7.4609 |
| logSw: | -5.7897 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.342 |
| InChI Key: | TWVLDBIZOTXEBY-UHFFFAOYSA-N |