4-butyl-6-chloro-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
4-butyl-6-chloro-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D715-0990 |
| Compound Name: | 4-butyl-6-chloro-7-[(1H-tetrazol-5-yl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 334.76 |
| Molecular Formula: | C15 H15 Cl N4 O3 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCc1nnn[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.438 |
| logD: | 1.3832 |
| logSw: | -3.9117 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.335 |
| InChI Key: | AOTJEDVHPZFDPK-UHFFFAOYSA-N |