2-[(4-methylphenyl)methanesulfonyl]-4-[(4-methylphenyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline

2-[(4-methylphenyl)methanesulfonyl]-4-[(4-methylphenyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline

CAS: 339019-42-0

Formula: C23H24N2O2S2

SMILES: CC1=CC=C(CS(=O)(=O)C2=NC(SC3=CC=C(C)C=C3)=C3CCCCC3=N2)C=C1

IUPAC: 2-[(4-methylphenyl)methanesulfonyl]-4-[(4-methylphenyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline

InChI: InChI=1S/C23H24N2O2S2/c1-16-7-11-18(12-8-16)15-29(26,27)23-24-21-6-4-3-5-20(21)22(25-23)28-19-13-9-17(2)10-14-19/h7-14H,3-6,15H2,1-2H3

Composition: C (65.07%), H (5.70%), N (6.60%), O (7.54%), S (15.10%)

Molar Mass: 424.58

Atom Count: 53

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	424.127920369
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	VWDJVKJWBSVGBR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	121.34
Topological Polar Surface Area	59.92
Polarizability	46.78
Ring Count	4
Rotatable Bond Count	5

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