Chemical ID: 3957552

CC(C)(C)C1CCc2c(sc3c2c(=O)[nH]c(n3)CNC4CCCCCCC4)C1
Chemical ID:
3957552
Name [?]:
None
SMILES [?]:
CC(C)(C)C1CCc2c(sc3c2c(=O)[nH]c(n3)CNC4CCCCCCC4)C1
InChi [?]:
InChI=1/C23H35N3OS/c1-23(2,3)15-11-12-17-18(13-15)28-22-20(17)21(27)25-19(26-22)14-24-16-9-7-5-4-6-8-10-16/h15-16,24H,4-14H2,1-3H3,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,3,4,24,23,25,22,26,21,27,6,7,28,18,5,20,8,9,16,12,13,11,2,19,15,17,14,10/E:(1,2,3)(5,6)(7,8)(9,10)/rA:28cCCCCCCCCCSCCCONCNCNCCCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;s10;s8d11;s12;d13;s13;s15;s11d16;s16;s18;s19;s20;s21;s22;s23;s24;s25;s20s26;s5s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H35N3OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:13.4076
Area:615.768
Solvation:-1.9866
Coulombic:-37.6581
Bond Count [?]
All:31
Single:27
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:401.61
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.1
LogP (Chemaxon):4.45

Name Annotations

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Descriptor Annotations

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