Chemical ID: 4903977

CC(C)OCCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Cl)c4cccc(c4)Cl
Chemical ID:
4903977
Name [?]:
None
SMILES [?]:
CC(C)OCCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Cl)c4cccc(c4)Cl
InChi [?]:
InChI=1/C23H21Cl2NO4/c1-13(2)29-10-4-9-26-20(14-5-3-6-15(24)11-14)19-21(27)17-12-16(25)7-8-18(17)30-22(19)23(26)28/h3,5-8,11-13,20H,4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,26,6,25,27,16,17,7,5,29,14,2,24,28,15,13,18,10,9,11,20,21,30,23,8,12,22,4,19/E:(1,2)/rA:30cCCCOCCCNCCCOCCCCCCOCCOClCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s15;s9;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21Cl2NO4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.9874
Area:662.636
Solvation:-4.57854
Coulombic:-43.767
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:446.323
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.72
LogP (Chemaxon):4.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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