Chemical ID: 7354342

COC(=O)c1ccc(cc1)c2cc-3n(c(=N)c2C#N)CCc4c3cc5c(c4)OCO5
Chemical ID:
7354342
Name [?]:
None
SMILES [?]:
COC(=O)c1ccc(cc1)c2cc-3n(c(=N)c2C#N)CCc4c3cc5c(c4)OCO5
InChi [?]:
InChI=1/C23H17N3O4/c1-28-23(27)14-4-2-13(3-5-14)16-9-19-17-10-21-20(29-12-30-21)8-15(17)6-7-26(19)22(25)18(16)11-24/h2-5,8-10,25H,6-7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,9,6,10,21,20,27,12,24,18,29,8,5,22,11,23,17,13,26,25,15,3,19,16,14,4,2,28,30/E:(2,3)(4,5)/rA:30nCOCOCCCCCCCCCNCNCCNCCCCCCCCOCO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;s14;w15;d11s15;s17;t18;s14;s20;s21;s13s22;d23;s24;d25;d22s26;s26;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17N3O4
All Atoms:47
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.5339
Area:602.68
Solvation:-4.53307
Coulombic:-57.8328
Bond Count [?]
All:34
Single:23
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:399.399
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.23
LogP (Chemaxon):3.12

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Descriptor Annotations

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