Chemical ID: 4408607

Cc1cc2c(cc1C)NC3=C(C(N2)c4c[nH]c5c4cccc5)C(=O)CC(C3)(C)C
Chemical ID:
4408607
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)NC3=C(C(N2)c4c[nH]c5c4cccc5)C(=O)CC(C3)(C)C
InChi [?]:
InChI=1/C25H27N3O/c1-14-9-19-20(10-15(14)2)28-24(17-13-26-18-8-6-5-7-16(17)18)23-21(27-19)11-25(3,4)12-22(23)29/h5-10,13,24,26-28H,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:8,1,28,29,20,21,19,22,6,3,27,25,15,7,2,18,14,17,5,4,10,23,11,12,26,16,9,13,24/E:(3,4)/rA:29cCCCCCCCCNCCCNCCNCCCCCCCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;s4s12;s12;d14;s15;s16;s14s17;d18;s19;d20;d17s21;s11;d23;s23;s25;s10s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27N3O
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.5868
Area:568.509
Solvation:-2.6259
Coulombic:-42.5852
Bond Count [?]
All:33
Single:24
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:385.501
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.03
LogP (Chemaxon):5.04

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Descriptor Annotations

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