Chemical ID: 7174626

CCn1cc(cn1)C=C2CC3C4CCC5CCCCC5(C4CCC3(C2O)C)C
Chemical ID:
7174626
Name [?]:
16-[(1-ethylpyrazol-4-yl)methylene]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-17-ol
SMILES [?]:
CCn1cc(cn1)C=C2CC3C4CCC5CCCCC5(C4CCC3(C2O)C)C
InChi [?]:
InChI=1/C25H38N2O/c1-4-27-16-17(15-26-27)13-18-14-22-20-9-8-19-7-5-6-11-24(19,2)21(20)10-12-25(22,3)23(18)28/h13,15-16,19-23,28H,4-12,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,27,2,17,18,16,14,13,22,19,23,8,10,6,4,5,9,15,12,21,11,25,20,24,7,3,26/rA:28cCCNCCCNCCCCCCCCCCCCCCCCCCOCC/rB:s1;s2;s3;d4;s5;s3d6;s5;w8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s15s19;s12s20;s21;s22;s11s23;s9s24;s25;s24;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H38N2O
All Atoms:66
Heavy Atoms:28
Chiral Atoms:7
ZAP Information [?]
Total:11.7501
Area:571.742
Solvation:-2.54347
Coulombic:-23.6236
Bond Count [?]
All:32
Single:29
Double:3
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:382.582
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.98
LogP (Chemaxon):5.05

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Experimental Annotations

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Descriptor Annotations

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