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

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

CAS: 478049-58-0

Formula: C23H23ClN2O4S2

SMILES: CC1=CC=C(CS(=O)(=O)C2=NC3=C(CCCC3)C(=N2)S(=O)(=O)CC2=CC=C(Cl)C=C2)C=C1

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

InChI: InChI=1S/C23H23ClN2O4S2/c1-16-6-8-17(9-7-16)15-32(29,30)23-25-21-5-3-2-4-20(21)22(26-23)31(27,28)14-18-10-12-19(24)13-11-18/h6-13H,2-5,14-15H2,1H3

Composition: C (56.26%), H (4.72%), Cl (7.22%), N (5.71%), O (13.03%), S (13.06%)

Molar Mass: 491.02

Atom Count: 55

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	490.0787773
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	RTCTWFLRARECRR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	126.95
Topological Polar Surface Area	94.06
Polarizability	49.86
Ring Count	4
Rotatable Bond Count	6

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