3-chloro-5-[(2-chloroethyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-chloro-5-[(2-chloroethyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-chloro-5-[(2-chloroethyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | 0828-0007 |
| Compound Name: | 3-chloro-5-[(2-chloroethyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 333.17 |
| Molecular Formula: | C16 H10 Cl2 N2 O2 |
| Smiles: | C(C[Cl])Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6222 |
| logD: | 4.6222 |
| logSw: | -4.9867 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.831 |
| InChI Key: | CBKKWHIYTJBBDP-UHFFFAOYSA-N |