Srt1720

C₂₅H₂₄ClN₇OSCAS 1001645-58-4506.03 g/mol

Open in Covalent MOL file

Amide Secondary amine Tertiary amine

Properties

Molecular formula: C₂₅H₂₄ClN₇OS
Molar mass: 506.03 g/mol
Exact mass: 505.1452 Da
logP: 4.09Crippen estimate
Polar surface area: 87.5 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1001645-58-4

SMILES

C1CN(CCN1)CC2=CSC3=NC(=CN23)C4=CC=CC=C4NC(=O)C5=NC6=CC=CC=C6N=C5.Cl

InChIKey

DTGRRMPPXCRRIM-UHFFFAOYSA-N

InChI

InChI=1S/C25H23N7OS.ClH/c33-24(22-13-27-20-7-3-4-8-21(20)28-22)29-19-6-2-1-5-18(19)23-15-32-17(16-34-25(32)30-23)14-31-11-9-26-10-12-31;/h1-8,13,15-16,26H,9-12,14H2,(H,29,33);1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Srt1720

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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