1-(diphenylmethyl)-4-({4-[(4-methylphenyl)sulfanyl]-3-nitrophenyl}methyl)piperazine

1-(diphenylmethyl)-4-({4-[(4-methylphenyl)sulfanyl]-3-nitrophenyl}methyl)piperazine

CAS: 477869-34-4

Formula: C31H31N3O2S

SMILES: CC1=CC=C(SC2=C(C=C(CN3CCN(CC3)C(C3=CC=CC=C3)C3=CC=CC=C3)C=C2)[N+]([O-])=O)C=C1

IUPAC: 1-(diphenylmethyl)-4-({4-[(4-methylphenyl)sulfanyl]-3-nitrophenyl}methyl)piperazine

InChI: InChI=1S/C31H31N3O2S/c1-24-12-15-28(16-13-24)37-30-17-14-25(22-29(30)34(35)36)23-32-18-20-33(21-19-32)31(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-17,22,31H,18-21,23H2,1H3

Composition: C (73.06%), H (6.13%), N (8.24%), O (6.28%), S (6.29%)

Molar Mass: 509.67

Atom Count: 68

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	509.213698424
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	SWVRERWQPLCFFG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	153.59
Topological Polar Surface Area	49.62
Polarizability	59.19
Ring Count	5
Rotatable Bond Count	8

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