Chemical ID: 7021625

CCCCN1c2ccc(cc2C(=NNC(=O)c3cc(c(c(c3)OC)OC)OC)C1=O)C
Chemical ID:
7021625
Name [?]:
N-(1-butyl-5-methyl-2-oxo-indolin-3-ylidene)amino-3,4,5-trimethoxy-benzamide
SMILES [?]:
CCCCN1c2ccc(cc2C(=NNC(=O)c3cc(c(c(c3)OC)OC)OC)C1=O)C
InChi [?]:
InChI=1/C23H27N3O5/c1-6-7-10-26-17-9-8-14(2)11-16(17)20(23(26)28)24-25-22(27)15-12-18(29-3)21(31-5)19(13-15)30-4/h8-9,11-13H,6-7,10H2,1-5H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,31,24,28,26,2,3,8,7,4,10,22,18,9,17,11,6,21,19,12,20,15,29,13,14,5,16,30,23,27,25/E:(3,4)(12,13)(18,19)(29,30)/rA:31nCCCCNCCCCCCCNNCOCCCCCCOCOCOCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;w12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s19;s27;s5s12;d29;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27N3O5
All Atoms:58
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.76072
Area:666.818
Solvation:-6.90974
Coulombic:-59.8359
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:425.478
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.13
LogP (Chemaxon):3.32

Name Annotations

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Descriptor Annotations

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