4-[[6-chloro-2-(4-chlorophenyl)thiochromen-4-ylidene]amino]-N,N-diethylpentan-1-amine;hydrochloride

C24H29Cl3N2S — CID 90673545

IUPAC4-[[6-chloro-2-(4-chlorophenyl)thiochromen-4-ylidene]amino]-N,N-diethylpentan-1-amine;hydrochloride
SMILESCCN(CC)CCCC(C)/N=c1\cc(-c2ccc(Cl)cc2)sc2ccc(Cl)cc12.Cl
InChIInChI=1S/C24H28Cl2N2S.ClH/c1-4-28(5-2)14-6-7-17(3)27-22-16-24(18-8-10-19(25)11-9-18)29-23-13-12-20(26)15-21(22)23;/h8-13,15-17H,4-7,14H2,1-3H3;1H/b27-22+;
InChIKeyKRTJDYAKNCSCSS-NYUAYZFWSA-N
MW483.94 g/mol
LogP7.71
Rot. Bonds8

About 4-[[6-chloro-2-(4-chlorophenyl)thiochromen-4-ylidene]amino]-N,N-diethylpentan-1-amine;hydrochloride

4-[[6-chloro-2-(4-chlorophenyl)thiochromen-4-ylidene]amino]-N,N-diethylpentan-1-amine;hydrochloride (PubChem CID 90673545) has the molecular formula C24H29Cl3N2S and a molecular weight of 483.94 g/mol. Its IUPAC name is 4-[[6-chloro-2-(4-chlorophenyl)thiochromen-4-ylidene]amino]-N,N-diethylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-[[6-chloro-2-(4-chlorophenyl)thiochromen-4-ylidene]amino]-N,N-diethylpentan-1-amine;hydrochloride
PubChem CID90673545
Molecular FormulaC24H29Cl3N2S
Molecular Weight483.94 g/mol
Exact Mass482.11
IUPAC Name4-[[6-chloro-2-(4-chlorophenyl)thiochromen-4-ylidene]amino]-N,N-diethylpentan-1-amine;hydrochloride
SMILESCCN(CC)CCCC(C)/N=c1\cc(-c2ccc(Cl)cc2)sc2ccc(Cl)cc12.Cl
InChIInChI=1S/C24H28Cl2N2S.ClH/c1-4-28(5-2)14-6-7-17(3)27-22-16-24(18-8-10-19(25)11-9-18)29-23-13-12-20(26)15-21(22)23;/h8-13,15-17H,4-7,14H2,1-3H3;1H/b27-22+;
InChIKeyKRTJDYAKNCSCSS-NYUAYZFWSA-N
XLogP7.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.94
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[6-chloro-2-(4-chlorophenyl)thiochromen-4-ylidene]amino]-N,N-diethylpentan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[6-chloro-2-(4-chlorophenyl)thiochromen-4-ylidene]amino]-N,N-diethylpentan-1-amine;hydrochloride?
The IUPAC name of 4-[[6-chloro-2-(4-chlorophenyl)thiochromen-4-ylidene]amino]-N,N-diethylpentan-1-amine;hydrochloride (CID 90673545) is 4-[[6-chloro-2-(4-chlorophenyl)thiochromen-4-ylidene]amino]-N,N-diethylpentan-1-amine;hydrochloride.
What is the SMILES notation for 4-[[6-chloro-2-(4-chlorophenyl)thiochromen-4-ylidene]amino]-N,N-diethylpentan-1-amine;hydrochloride?
The canonical SMILES for 4-[[6-chloro-2-(4-chlorophenyl)thiochromen-4-ylidene]amino]-N,N-diethylpentan-1-amine;hydrochloride is CCN(CC)CCCC(C)/N=c1\cc(-c2ccc(Cl)cc2)sc2ccc(Cl)cc12.Cl.
What is the InChIKey of 4-[[6-chloro-2-(4-chlorophenyl)thiochromen-4-ylidene]amino]-N,N-diethylpentan-1-amine;hydrochloride?
The InChIKey is KRTJDYAKNCSCSS-NYUAYZFWSA-N. The full InChI is InChI=1S/C24H28Cl2N2S.ClH/c1-4-28(5-2)14-6-7-17(3)27-22-16-24(18-8-10-19(25)11-9-18)29-23-13-12-20(26)15-21(22)23;/h8-13,15-17H,4-7,14H2,1-3H3;1H/b27-22+;.
What are the key properties of 4-[[6-chloro-2-(4-chlorophenyl)thiochromen-4-ylidene]amino]-N,N-diethylpentan-1-amine;hydrochloride?
4-[[6-chloro-2-(4-chlorophenyl)thiochromen-4-ylidene]amino]-N,N-diethylpentan-1-amine;hydrochloride has a molecular weight of 483.94 g/mol, XLogP of 7.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-chloro-2-(4-chlorophenyl)thiochromen-4-ylidene]amino]-N,N-diethylpentan-1-amine;hydrochloride is sourced from PubChem (CID 90673545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).