Chemical ID: 6918049

CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)O
Chemical ID:
6918049
Name [?]:
None
SMILES [?]:
CC12C(C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)O
InChi [?]:
InChI=1/C27H24N4O3/c1-27-25(32)16(28-2)11-19(34-27)30-17-9-5-3-7-13(17)21-22-15(12-29-26(22)33)20-14-8-4-6-10-18(14)31(27)24(20)23(21)30/h3-10,16,19,25,28,32H,11-12H2,1-2H3,(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,33,12,22,11,21,13,23,10,20,5,31,14,24,26,4,9,19,6,25,15,27,16,17,3,28,2,32,30,8,18,34,29,7/rA:34cCCCCCCONCCCCCCCCCNCCCCCCCCCCONCNCO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;d10;s11;d12;d9s13;s14;s8s15;d16;s2s17;s18;s19;d20;s21;d22;d19s23;s17s24;d25;d15s26;s27;d28;s28;s26s30;s4;s32;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H24N4O3
All Atoms:58
Heavy Atoms:34
Chiral Atoms:4
ZAP Information [?]
Total:10.0708
Area:574.144
Solvation:-4.28282
Coulombic:-70.4183
Bond Count [?]
All:41
Single:31
Double:10
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:452.505
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.66
LogP (Chemaxon):5.09

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue