Chemical ID: 6424164

CC(CCC1C(CN=N1)(C)C(=O)OC)C2CCC3(C2(CCC4C3=CCC5C4(CCC(=O)C5(C)C)C)C)C
Chemical ID:
6424164
Name [?]:
methyl 4-methyl-3-[3-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)butyl]-3,5-dihydropyrazole-4-carboxylate
SMILES [?]:
CC(CCC1C(CN=N1)(C)C(=O)OC)C2CCC3(C2(CCC4C3=CCC5C4(CCC(=O)C5(C)C)C)C)C
InChi [?]:
InChI=1/C32H50N2O3/c1-20(9-12-25-30(5,19-33-34-25)27(36)37-8)21-13-17-32(7)23-10-11-24-28(2,3)26(35)15-16-29(24,4)22(23)14-18-31(21,32)6/h10,20-22,24-25H,9,11-19H2,1-8H3
InChi Info:
AuxInfo=1/0/N:1,33,34,35,10,36,37,14,3,24,25,4,16,21,29,28,17,20,7,2,15,22,23,26,5,30,11,32,27,6,19,18,8,9,31,12,13/E:(2,3)/rA:37cCCCCCCCNNCCOOCCCCCCCCCCCCCCCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s5d8;s6;s6;d11;s11;s13;s2;s15;s16;s17;s15s18;s19;s20;s21;s18s22;d23;s24;s25;s22s26;s27;s28;s29;d30;s26s30;s32;s32;s27;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H50N2O3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:9
ZAP Information [?]
Total:13.0513
Area:714.597
Solvation:-4.8136
Coulombic:-30.6501
Bond Count [?]
All:41
Single:37
Double:4
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:510.751
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.9
LogP (Chemaxon):7.49

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