Chemical ID: 5998321

COCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)c6ccccc6
Chemical ID:
5998321
Name [?]:
2-[8-(1-adamantylcarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-N-(2-methoxyethyl)acetamide
SMILES [?]:
COCCNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4)c6ccccc6
InChi [?]:
InChI=1/C29H40N4O4/c1-37-12-9-30-25(34)19-32-20-33(24-5-3-2-4-6-24)29(27(32)36)7-10-31(11-8-29)26(35)28-16-21-13-22(17-28)15-23(14-21)18-28/h2-6,21-23H,7-20H2,1H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,35,34,36,33,37,15,19,4,16,18,3,25,28,30,27,23,31,8,10,26,24,29,32,6,20,13,22,12,5,17,9,11,7,21,14,2/E:(3,4)(5,6)(7,8)(10,11)(13,14,15)(16,17,18)(21,22,23)/rA:37cCOCCNCOCNCNCCOCCNCCCOCCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s9s12;d13;s12;s15;s16;s17;s12s18;s17;d20;s20;s22;s23;s24;s25;s22s26;s26;s28;s24s29;s22s29;s11;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H40N4O4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:11.7309
Area:710.406
Solvation:-6.02922
Coulombic:-69.6656
Bond Count [?]
All:42
Single:36
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:508.652
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.35
LogP (Chemaxon):2.22

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Descriptor Annotations

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