3-[(4,5-dihydro-1,3-thiazol-2-yl)amino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one
Chemical Structure Depiction of
3-[(4,5-dihydro-1,3-thiazol-2-yl)amino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one
3-[(4,5-dihydro-1,3-thiazol-2-yl)amino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one
Compound characteristics
| Compound ID: | 8018-0032 |
| Compound Name: | 3-[(4,5-dihydro-1,3-thiazol-2-yl)amino]-3,4-dihydro-2H-1,5,3lambda~5~-benzodioxaphosphepin-3-one |
| Molecular Weight: | 284.27 |
| Molecular Formula: | C11 H13 N2 O3 P S |
| Smiles: | C1CSC(NP2(COc3ccccc3OC2)=O)=N1 |
| Stereo: | ACHIRAL |
| logP: | 1.2525 |
| logD: | 1.2484 |
| logSw: | -2.0727 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.856 |
| InChI Key: | MQFJIVQVILDAJT-UHFFFAOYSA-N |