1197-17-7 Purity
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Specification
The molecular formula of Carzelesin is C41H37ClN6O5.
The molecular weight of Carzelesin is 729.2 g/mol.
The IUPAC Name of Carzelesin is [(8S)-8-(chloromethyl)-6-[5-[[6-(diethylamino)-1-benzofuran-2-carbonyl]amino]-1H-indole-2-carbonyl]-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl] N-phenylcarbamate.
The Canonical SMILES of Carzelesin is CCN(CC)C1=CC2=C(C=C1)C=C(O2)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)N5CC(C6=C7C(=CNC7=C(C=C65)OC(=O)NC8=CC=CC=C8)C)CCl.
The InChIKey of Carzelesin is BBZDXMBRAFTCAA-AREMUKBSSA-N.
The CAS number of Carzelesin is 119813-10-4.
The XLogP3-AA value of Carzelesin is 7.9.
Carzelesin has 4 hydrogen bond donor counts.
Carzelesin has 6 hydrogen bond acceptor counts.
The Topological Polar Surface Area of Carzelesin is 136 Å2.