Chemical ID: 4899537

CCCOc1cccc(c1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCN(C)C
Chemical ID:
4899537
Name [?]:
None
SMILES [?]:
CCCOc1cccc(c1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCN(C)C
InChi [?]:
InChI=1/C25H28N2O4/c1-4-15-30-18-10-7-9-17(16-18)22-21-23(28)19-11-5-6-12-20(19)31-24(21)25(29)27(22)14-8-13-26(2)3/h5-7,9-12,16,22H,4,8,13-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,31,2,17,18,7,27,8,6,16,19,28,26,3,10,9,5,15,20,12,11,13,22,23,29,25,14,24,4,21/E:(2,3)/rA:31cCCCOCCCCCCCCCOCCCCCCOCCONCCCNCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;s28;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.011
Area:670.721
Solvation:-4.75708
Coulombic:-48.1623
Bond Count [?]
All:34
Single:25
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:420.501
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.33
LogP (Chemaxon):3.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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