Chemical ID: 6045498

CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5cc(ccc5C(=O)O4)N)N(C)C
Chemical ID:
6045498
Name [?]:
None
SMILES [?]:
CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5cc(ccc5C(=O)O4)N)N(C)C
InChi [?]:
InChI=1/C24H23N3O3/c1-26(2)15-6-9-18-21(12-15)29-22-13-16(27(3)4)7-10-19(22)24(18)20-11-14(25)5-8-17(20)23(28)30-24/h5-13H,25H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,29,30,21,5,14,22,6,15,19,9,12,20,4,13,23,7,16,18,8,11,24,17,27,2,28,25,10,26/E:(1,2,3,4)(6,7)(9,10)(12,13)(15,16)(18,19)(21,22)(26,27)/rA:30nCNCCCCCCCOCCCCCCCCCCCCCCOONNCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s13;d14;d11s15;s7s16;s17;s18;d19;s20;d21;d18s22;s23;d24;s17s24;s20;s13;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.9577
Area:600.76
Solvation:-4.06135
Coulombic:-57.0099
Bond Count [?]
All:34
Single:24
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:401.458
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.25
LogP (Chemaxon):4.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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