Chemical ID: 5747781

CC(C)c1cccc(c1NC(=O)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4)C(C)C
Chemical ID:
5747781
Name [?]:
None
SMILES [?]:
CC(C)c1cccc(c1NC(=O)CSc2[nH]c(=O)c3c4c(sc3n2)CCCC4)C(C)C
InChi [?]:
InChI=1/C24H29N3O2S2/c1-13(2)15-9-7-10-16(14(3)4)21(15)25-19(28)12-30-24-26-22(29)20-17-8-5-6-11-18(17)31-23(20)27-24/h7,9-10,13-14H,5-6,8,11-12H2,1-4H3,(H,25,28)(H,26,27,29)
InChi Info:
AuxInfo=1/1/N:1,3,30,31,27,26,6,28,5,7,25,13,2,29,4,8,20,21,11,19,9,17,23,15,10,16,24,12,18,14,22/E:(1,2,3,4)(9,10)(13,14)(15,16)/rA:31nCCCCCCCCCNCOCSCNCOCCCSCNCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;s16;d17;s17;s19;d20;s21;d19s22;d15s23;s21;s25;s26;s20s27;s8;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29N3O2S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:14.0276
Area:678.057
Solvation:-2.92379
Coulombic:-49.2182
Bond Count [?]
All:34
Single:26
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:455.638
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.03
LogP (Chemaxon):4.95

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Descriptor Annotations

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