N-cyclopentyl-3-(3-methoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-3-(3-methoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N-cyclopentyl-3-(3-methoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0329 |
| Compound Name: | N-cyclopentyl-3-(3-methoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 530.6 |
| Molecular Formula: | C28 H26 N4 O5 S |
| Smiles: | COc1cccc(c1)N1C(=Nc2cc(ccc2C1=O)C(NC1CCCC1)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8976 |
| logD: | 4.8976 |
| logSw: | -4.6607 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.59 |
| InChI Key: | BQBCAKSNQZXJFX-UHFFFAOYSA-N |