N,N-diethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N,N-diethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
N,N-diethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016300 |
| Compound Name: | N,N-diethyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-pentyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C25 H30 N4 O4 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(N(CC)CC)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7384 |
| logD: | 4.7384 |
| logSw: | -4.536 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.335 |
| InChI Key: | XQFGGYSGNFTUBA-UHFFFAOYSA-N |