12-chloro-3-[(4-methoxyphenyl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Chemical Structure Depiction of
12-chloro-3-[(4-methoxyphenyl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
12-chloro-3-[(4-methoxyphenyl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Compound characteristics
| Compound ID: | D144-0246 |
| Compound Name: | 12-chloro-3-[(4-methoxyphenyl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one |
| Molecular Weight: | 411.88 |
| Molecular Formula: | C23 H22 Cl N O4 |
| Smiles: | COc1ccc(CN2Cc3c4c(cc(c3OC2)[Cl])C2CCCCC=2C(=O)O4)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.495 |
| logD: | 5.4479 |
| logSw: | -5.9749 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.577 |
| InChI Key: | VBVZJCLQIUEYGQ-UHFFFAOYSA-N |