4-[(3-butoxypropyl)amino]-3-nitro-2H-1-benzothiopyran-2-one
Chemical Structure Depiction of
4-[(3-butoxypropyl)amino]-3-nitro-2H-1-benzothiopyran-2-one
4-[(3-butoxypropyl)amino]-3-nitro-2H-1-benzothiopyran-2-one
Compound characteristics
| Compound ID: | 8016-8677 |
| Compound Name: | 4-[(3-butoxypropyl)amino]-3-nitro-2H-1-benzothiopyran-2-one |
| Molecular Weight: | 336.41 |
| Molecular Formula: | C16 H20 N2 O4 S |
| Smiles: | CCCCOCCCNC1=C(C(=O)Sc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1406 |
| logD: | 3.1367 |
| logSw: | -3.5942 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.35 |
| InChI Key: | VLYNXTIJNMHVPY-UHFFFAOYSA-N |