N,N-diethyl-3-(3-fluorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N,N-diethyl-3-(3-fluorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N,N-diethyl-3-(3-fluorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G859-0090 |
| Compound Name: | N,N-diethyl-3-(3-fluorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 506.56 |
| Molecular Formula: | C26 H23 F N4 O4 S |
| Smiles: | CCN(CC)C(c1ccc2C(N(C(=Nc2c1)SCc1ccc(cc1)[N+]([O-])=O)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6996 |
| logD: | 3.6995 |
| logSw: | -3.9524 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.473 |
| InChI Key: | MQPUPVIRKOEJDZ-UHFFFAOYSA-N |