11-chloro-3-[(4-methylphenyl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Chemical Structure Depiction of
11-chloro-3-[(4-methylphenyl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
11-chloro-3-[(4-methylphenyl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | D144-0036 |
| Compound Name: | 11-chloro-3-[(4-methylphenyl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 381.86 |
| Molecular Formula: | C22 H20 Cl N O3 |
| Smiles: | Cc1ccc(CN2Cc3c4c(cc(c3OC2)[Cl])C2CCCC=2C(=O)O4)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1387 |
| logD: | 4.9017 |
| logSw: | -5.4901 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.4 |
| InChI Key: | ABSBPZQMJCCKIH-UHFFFAOYSA-N |